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Ethotoin

HCID 3292
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
86-35-1
표준 SMILES
CCN1C(=O)NC(c2ccccc2)C1=O
InChIKey
SZQIFWWUIBRPBZ-UHFFFAOYSA-N
분자식
C11H12N2O2
평균 분자량
204.22 g/mol
단동위원소 질량
204.08987763

개요

Ethotoin is an imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective. It has a role as an anticonvulsant.

이름 및 식별자

우선 이름
Ethotoin
IUPAC
3-ethyl-5-phenylimidazolidine-2,4-dione
영어명
ETHOTOIN
분자식
C11H12N2O2
분자량
204.23

이름 및 동의어

ethotoin86-35-1Peganone3-ethyl-5-phenylimidazolidine-2,4-dione3-Ethyl-5-phenylhydantoinAccenonEthotoineEtotoinaEthotoinum3-Ethyl-5-phenylimidazolidin-2,4-dione1-Ethyl-2,5-dioxo-4-phenylimidazolidine3-Ethyl-5-phenyl-2,4-imidazolidinedione
이름 더 보기
AC-695EtbotoinPegoanoneETHOTOIN (200 MG)ETHOTOIN USP/EP/BPEthotoin (1264501)Ethotoin ((±)-Ethotoin)
Hydantoin, 3-ethyl-5-phenyl-2,4-Imidazolidinedione, 3-ethyl-5-phenyl-(+-)-3-Ethyl-5-phenylhydantoinDTXSID6023020NSC-76007446QG38NC4U3-ethyl-5-phenyl-imidazolidine-2,4-dioneCHEBI:4888

데이터베이스 식별자

CAS
86-35-1
PubChem CID
3292
DTXSID
DTXSID6023020
ChEMBL
CHEMBL1095
ChEBI
CHEBI:4888
UNII
46QG38NC4U

물성

구조 계산 물성

XLogP
1
극성 표면적
49.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
15
형식 전하
0
복잡도
272

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antiepileptics
LogP · 3건

log Kow = 1.05

0.8

1.54

Color/FormStout prisms from water.
Solubility · 2건

Sparingly soluble in cold water, more soluble in hot water. Freely soluble in alcohol, ether, benzene, dilute aqueous solutions of alkali hydroxides.

2.38e+00 g/L

Human Drugs · 3건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Pharmaceuticals

DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Melting Point · 2건

94 °C

94 °C

Physical DescriptionSolid
Stability/Shelf LifeEthotoin darkens on exposure to light or extreme heat.

물리화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

FDA Requirements · 1건

The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl ethotoin, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.

Special Reports · 5건

Badalian LO, et al; Zh Nevropatol Psikhiatr Im S S Korsakova 93 (1): 90-3 (1993). Epilepsy and pregnancy, a review.

Strasnick B, Jacobson JT; J Am Acad Audiol 6 (1): 28-38 (1995). Teratogenic hearing loss /is reviewed/.

Maternal factors, medications and drug exposure in congenital limb reduction defects.[Foster UG, Baird PA; Environ Health Perspect 101 (Suppl 3): 269-74 (1993)]

Markova IV; Farmakol Toksikol 53 (4): 82-6 (1990). The undesirable action of drugs on the embryo, fetus and newborn infant.

For more Special Reports (Complete) data for ETHOTOIN (9 total), please visit the HSDB record page.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Storage Conditions · 2건

Commercially available ethotoin tablets should be stored in tight containers at a temperature less than 40 °C, preferably between 15-30 °C.

Store below 40 °C (104 °F), preferably between 15 and 30 °C (59 and 86 °F), unless otherwise specified by manufacturer. Store in a tight container. /Ethotoin/

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1건

Ethotoin is a hydantoin derivative and anticonvulsant. Ethotoin exerts an antiepileptic effect without causing general central nervous system depression. The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges.

Mechanism of Action · 2건

The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges. Ethotoin inhibits nerve impulses in the motor cortex by lowering sodium ion influx, limiting tetanic stimulation.

The mechanism of action is not completely known, but it is thought to involve stabilization of neuronal membranes at the cell body, axon, and synapse and limitation of the spread of neuronal or seizure activity. ... Hydantoin anticonvulsants have an excitatory effect on the cerebellum, activating inhibitory pathways that extend to the cerebral cortex. This effect may also produce a reduction in seizure activity that is associated with an increased cerebellar Purkinje cell discharge. /Hydantoin anticonvulsants/

Biological Half-Life · 3건

3 to 9 hours

At plasma concentrations less than about 8 ug/mL, ethotoin reportedly has an elimination half-life of 3-9 hours.

Ethotoin administration was 25 mg per kilogram in 5 patients. Ethotoin Tmax was 2 hours, with a T 1/2 of 5 hours. Saliva accurately represented the unbound fraction for ... /ethotoin/. Mean salivary levels (as percentage of total levels) were ... 54% for ethotoin.

Metabolism/Metabolites · 5건

Hepatic. The drug exhibits saturable metabolism with respect to the formation of N-deethyl and p-hydroxyl-ethotoin, the major metabolites.

Ethotoin is metabolized by the liver to p-hydroxylated and m-hydoxylated derivatives following N-deethylation; these metabolites are conjugated with glucuronic acid. The N-deethylated metabolite may also be metabolized to 2-phenylhydantoic acid. Ethotoin appears to exhibit saturable metabolism with respect to the formation of the p-hydroxylated and N-deethylated metabolites.

관련 반응

0건
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현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
201-665-1
Nikkaji
J3.894F
녹는점
94 °C · 94°C
끓는 점
342.72 °C · 342.72°C (rough estimate)
밀도
1.1754 · 1.1754 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
저장 조건
Refrigerator
용해도
디클로로메탄(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
8.01 · 8.01±0.70(Predicted)
물리적 상태
고체
색상
흰색에서 황백색까지
주요 응용
의약품(소분자)
Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

TreatmentTreatment should be begun by inducing emesis; gastric lavage may be considered as an alternative. General supportive measures will be necessary. A careful evaluation of blood-forming organs should be made following recovery. (L1712)
Interactions · 5건

Risk of hepatotoxicity from a single toxic dose or prolonged use of acetaminophen may be increased and therapeutic efficacy may be decreased in patients regularly taking other hepatic enzyme-inducing agents such as phenytoin. /Hydantoin anticonvulsants/

Concurrent use of alcohol or CNS depression-producing medications with hydantoin anticonvulsants may enhance CNS depression. Chronic use of alcohol may decrease serum concentrations and effectiveness of hydantoins; concurrent use of hydantoin anticonvulsants with acute alcohol intake may increase serum hydantoin concentrations. /Hydantoin anticonvulsants/

Concurrent use of amiodarone with phenytoin and possibly with other hydantoin anticonvulsants may increase plasma concentrations of the hydantoin, resulting in increased effects and/or toxicity. /Hydantoin anticonvulsants/

Concurrent use with coumarin- or indandione-derivative anticoagulants, chloramphenicol, cimetidine, disulfiram, influenza virus vaccine, isoniazid, methylphenidate, phenylbutazone, ranitidine, salicylates, or sulfonamide may increase serum concentrations of hydantoin anticonvulsants because of decreased metabolism, thereby increasing the hydantoins' effects and/or toxicity. /Hydantoin anticonvulsants/

For more Interactions (Complete) data for ETHOTOIN (22 total), please visit the HSDB record page.

Health EffectsMay cause a potentially dangerous rash that may develop into Stevens Johnson syndrome, an extremely rare but potentially fatal skin disease.
Exposure RoutesFairly rapidly absorbed, however, the extent of oral absorption is not known.
Milk Concentrations · 1건

Ethotoin is distributed into milk. Because of the potential for serious adverse reactions from ethotoin in nursing infants, a decision should be made whether to discontinue nursing or the drug, taking into account the importance of the drug to the woman.

Toxicity Summary · 1건

The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges. Ethotoin inhibits nerve impulses in the motor cortex by lowering sodium ion influx, limiting tetanic stimulation.

Signs and SymptomsSymptoms of overdose include drowsiness, loss of or impaired muscle coordination, nausea, visual disturbance, and, at very high doses, coma.
Human Toxicity Excerpts · 3건

/SIGNS AND SYMPTOMS/ Clinical effects of overdose include ataxia (clumsiness or unsteadiness) or staggering walk, blurred or double vision, severe confusion, severe dizziness or drowsiness, dysarthria (stuttering) or slurred speech, hyperreflexia, nausea and vomiting, nystagmus (continuous, uncontrolled back-and-forth and/or rolling eye movements), tremor, and unusual tiredness or weakness. /Hydantoin anticonvulsants/

/OTHER TOXICITY INFORMATION/ The fetal hydantoin syndrome has been associated with the use of the more potent phenytoins. Only six reports describing the use of ethotoin during the first trimester have been located. Congenital malformations observed in two of these cases included cleft lip/plate and patent ductus arteriosus. No cause-and-effect relationship was established. Although the toxicity of ethotoin appears to be lower than the more potent phenytoin, the occurrence of congenital defects in two fetuses exposed to ethotoin suggests that a teratogenic potential may exist.

/OTHER TOXICITY INFORMATION/ Because acute attacks of porphyria may be precipitated by anticonvulsants, a therapeutic dilemma arises when seizures complicate hepatic porphyria. The list of unsafe agents includes barbiturates, primidone, phenytoin, mephenytoin, ethotoin, ethosuximide, methsuximide, phensuximide, and trimethadione. Agents are considered unsafe if they induce experimental porphyria in animals, and short trials in patients are unreliable for screening.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Ethotoin

Ambiguous-DILI-concern

3

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

Non-Human Toxicity Excerpts · 1건

/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Pregnant Sprague-Dawley CD rats were orally administered either phenytoin (PHT, 200 mg/kg), mephenytoin (MPH, 100 mg/kg), ethotoin (ETH, 600 mg/kg), hydantoin (HYD, 1,200 mg/kg) or vehicle (propylene glycol) on days 7-18 of gestation. Mean (+/- S.E.) maternal serum concentrations of PHT, MPH, and ETH 1 hr after dosing on gestational day 18 were 16.0 +/- 3.3, 10.7 +/- 3.0, and 65.2 +/- 10.45, respectively, and free fractions were 16%, 18%, and 11% respectively. The free fraction for PHT is similar, but was lower for both MPH and ETH than that seen in humans. Preweaning mortality for PHT, MPH, ETH, HYD, and controls was 25%, 6.3%, 12.5%, 2.0% and 0.8%, respectively. The MPH and ETH exposed animals weighed approximately 6.6% less than controls throughout the study; the other groups did not differ significantly. PHT offspring showed incr early locomotor activity. Only PHT exposed animals (27%) exhibited abnormal circling behavior after weaning. PHT-circlers accounted for higher levels of activity in an open field test and for longer straight channel swimming times. PHT-circlers and noncirclers differed from one another and controls on performance of a complex (Cincinnati) maze and on the development of the air-righting reflex. Offspring prenatally exposed to MPH showed an early delay in air-righting. ETH and HYD offspring were not consistently different from controls in behavior. The data suggest the following ordinal relationship among the drugs for behavioral teratogenesis: PHT much greater than MPH greater than ETH congruent to HYD congruent to CON. The effects of PHT are consistent with previous findings. Data on the other drugs suggest that other hydantoins do not possess the behavioral teratogenic efficacy of PHT and that PHT may be unique in its effects on CNS development.

Populations at Special RiskFollowing equal doses of phenytoin, total plasma phenytoin concentrations are lower in chronic uremic patients than in non-uremic patients which suggests an altered metabolic disposition of the drug in patients with uremia. /Phenytoin/

규제 정보

FDA Requirements · 1건

The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl ethotoin, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.

안전 데이터

wgk
WGK 3
HS 번호
2933210000
risk_code
22
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
86-35-1(Hazardous Substances Data)

The rate of hepatic biotransformation is increased in younger children, in pregnant women, in women during menses, and in patients with acute trauma; rate decreases with advancing age. /Hydantoin anticonvulsants/

The urinary excretion pattern of ethotoin and five metabolites were examined in three patients receiving continuous treatment with ethotoin at two dose levels, in order to investigate the mechanism behind the dose-dependent kinetics of this anticonvulsant drug. The results suggest a partial saturation in the dealkylation process at high dose levels in three patients. A rough approximation of the Michaelis-Menten constants for different enzymatic processes was attempted. On the basis of the results obtained, the p-hydroxylation may be a saturable process. The dose-dependent kinetics of ethotoin in man seem to be explicable by the existence of partly saturable enzymatic pathways.

Hepatic. The drug exhibits saturable metabolism with respect to the formation of N-deethyl and p-hydroxyl-ethotoin, the major metabolites. Half Life: 3 to 9 hours

FDA Pharmacological Classification · 5건

46QG38NC4U

ETHOTOIN

Established Pharmacologic Class [EPC] - Anti-epileptic Agent

Physiologic Effects [PE] - Decreased Central Nervous System Disorganized Electrical Activity

Ethotoin is an Anti-epileptic Agent. The physiologic effect of ethotoin is by means of Decreased Central Nervous System Disorganized Electrical Activity.

MeSH Pharmacological Classification · 2건

Drugs used to prevent SEIZURES or reduce their severity.

A class of drugs that inhibit the activation of VOLTAGE-GATED SODIUM CHANNELS.

Absorption, Distribution and Excretion · 6건

Fairly rapidly absorbed, however, the extent of oral absorption is not known.

Ethotoin is fairly rapidly absorbed from the GI tract following oral administration; the extent of absorption is not known.

Therapeutic serum concentrations range from 15 to 50 ug/mL (74 to 245 umol/L) for ethotoin.

Ethotoin and phenytoin are distributed into breast milk...

Limited data suggest that ethotoin and, to a lesser degree, 5-phenylhydantoin (the N-deethylated metabolite) may exhibit nonlinear pharmacokinetics following oral administration of single 500-, 1000-, and 1500-mg doses of ethotoin. The degree of nonlinearity may increase following oral administration of multiple doses (with a dosing interval of 4-6 hours) of ethotoin when compared with single doses, probably secondary to accumulation of the drug in plasma.

For more Absorption, Distribution and Excretion (Complete) data for ETHOTOIN (9 total), please visit the HSDB record page.

Cellular LocationsMembrane

용도 및 제조

Uses · 3건

Therapeutic Category: Anticonvulsant.

Medication

For the control of tonic-clonic (grand mal) and complex partial (psychomotor) seizures.

Methods of Manufacturing · 2건

Prepared by heating the potassium salt of 5-phenylhydantoin with ethyl bromide in alcohol at 100 °C in a sealed tube: Pinner, Ber 21, 2320 (1888).

Reaction of ethyl isocyanate and alpha-amino-alpha-phenylacetic acid followed by acid-catalyzed cyclodehydration.

Formulations/PreparationsPeganone
Use ClassificationPharmaceuticals

응용 분야

용도Ethotoin is a hydantoin based anticonvulsant drug used in the treatment of epilepsy.

상·하류 제품 정보

상류 원료

요오드화에틸DL-만딜오리트릴염산

공급사36 곳

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추가 설명

정의ChEBI: An imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective.