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디멘히드리네이트

Dimenhydrinate

HCID 10660
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
523-87-5
표준 SMILES
CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChIKey
NFLLKCVHYJRNRH-UHFFFAOYSA-N
분자식
C17H21NO.C7H7ClN4O2
평균 분자량
470 g/mol
단동위원소 질량
469.1880675

개요

Dimenhydrinate is a crystalline white powder. (NTP, 1992)

이름 및 식별자

우선 이름
Dimenhydrinate
IUPAC
2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
현지명
디멘히드리네이트
영어명
Dimenhydrinate
분자식
C17H21NO.C7H7ClN4O2
분자량
469.97

이름 및 동의어

DIMENHYDRINATE523-87-5DramamineTravelinDiphenhydrinateAnautineVomex AAmosytChloranautineAviomarinDromylGravol
이름 더 보기
디멘히드리네이트트라바마이드DIMENHYDRINATemesephaDiMatedramylemedylfaston
MenhydrinateAndramineDiamarinDramaminDramarinPermitalSupremalTeodramin

데이터베이스 식별자

CAS
523-87-5
PubChem CID
10660
DTXSID
DTXSID9025087
ChEMBL
CHEMBL1200406
ChEBI
CHEBI:94848
UNII
JB937PER5C
EC Number
208-350-8

물성

구조 계산 물성

극성 표면적
81.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
33
형식 전하
0
복잡도
509

실험 및 물리화학적 성질

pHSATURATED SOLN HAS PH BETWEEN 6.8 & 7.3
OdorODORLESS
Color/Form · 2건

CRYSTALS

WHITE POWDER

Solubility · 2건

Slightly soluble (1-10 mg/ml at 72 °F) (NTP, 1992)

FREELY SOL IN ALCOHOL, CHLOROFORM; SOL IN BENZENE; SOL IN WATER: ABOUT 3 MG/ML; ALMOST INSOL IN ETHER

Human Drugs · 3건

Breast Feeding; Lactation; Antihistamines; Antiemetics; Gastrointestinal Agents

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point · 3건

216 to 225 °F (NTP, 1992)

103-104

102-107 °C

Physical DescriptionDimenhydrinate is a crystalline white powder. (NTP, 1992)

물리화학적 성질

녹는점
102 · 102-107°C
밀도
1.2586 · 1.2586 (rough estimate)
굴절률
1.65 · 1.6500 (estimate)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H302 (99%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 105 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1): Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compound with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1): Environment tier I assessment
Fire HazardsFlash point data for this compound are not available but it is probably non-flammable. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms associated with this compound include: drowsiness, lethargy, fatigue hypnosis and coma. Initial sedation may be followed by central nervous system hyperexcitability. Also, the victim may experience dry mouth, anorexia, nausea, vomiting, abdominal distress, constipation, and/or diarrhea. (NTP, 1992)

Reactive GroupAmides and Imides
Air and Water ReactionsSlightly soluble in water. Slightly acidic.
Hazard Classes and Categories

화학 및 산업

약리 정보

ATC Code · 2건

R - Respiratory system

QR - Respiratory system

Protein BindingDimenhydrinate is 70-85% protein bound in plasma.
Pharmacodynamics · 1건

Dimenhydrinate is indicated for the prevention and treatment of nausea, vomiting, or vertigo of motion sickness. It has a short duration of action of 4-8 hours. Patients should be counselled regarding pronounced drowsiness, avoiding alcohol and other sedatives, and exercising caution when operating a motor vehicle or heavy machinery.

Mechanism of Action · 5건

Dimenhydrinate is a theoclate salt that separates into [diphenhydramine] and [8-chlorotheophylline]. While the exact mechanism of action is unknown, diphenhydramine is theorized to reduce disturbances to equilibrium through antimuscarinic effects or histamine H1 antagonism. 8-chlorotheophylline may produce excitation through blocking adenosine receptors, reducing the drowsiness produced by diphenhydramine.

IT IS ESSENTIAL TO NOTE THAT NEITHER H1...BLOCKERS INHIBIT HISTAMINE RELEASE. ...EFFECTS OF HISTAMINE ANTAGONISTS...FACILITATE RELEASE. BENEFICIAL EFFECTS OF HISTAMINE ANTAGONISTS ARE THUS CONFINED TO ANTAGONISM OF RESPONSES TO HISTAMINE THAT IS RELEASED. /ANTIHISTAMINES/

DRUGS USED TO BLOCK HISTAMINE RECEPTORS FALL INTO THAT LARGE GROUP OF PHARMACOLOGICAL ANTAGONISTS THAT APPEAR TO ACT BY OCCUPYING "RECEPTIVE SITES" ON EFFECTOR CELL, TO EXCLUSION OF AGONIST MOLECULES, WITHOUT THEMSELVES INITIATING RESPONSE. TYPICALLY...COMPETITIVE & REVERSIBLE. /ANTIHISTAMINES/

...ANTIHISTAMINES EFFECTIVE IN MOTION SICKNESS ACT BY VIRTUE OF CENTRAL ANTAGONISM OF ACH... ACT BY BLOCKING EXCITATORY LABYRINTHINE IMPULSES @ CHOLINERGIC SYNAPSES IN REGION OF VESTIBULAR NUCLEI. /ANTIHISTAMINES/

...MOTION SICKNESS. ...STIMULATION OF VESTIBULAR APPARATUS...& THAT VESTIBULAR CEREBELLAR MIDBRAIN "INTEGRATIVE VOMITING CENTER" & MEDULLARY CHEMORECEPTIVE TRIGGER ZONE ARE SOMEHOW INVOLVED. /ANTIHISTAMINES/

Biological Half-LifeThe plasma elimination half life of dimenhydrinate is 5-8 hours.
Metabolism/Metabolites · 2건

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
저장 조건
Inert atmosphere,Room Temperature
용해도
물에는 약간 용해되고 에탄올에는 잘 용해됩니다(96%).
물리적 상태
Solid
색상
흰색에서 황백색까지
수용성
약간 용해됨(22°C에서 0.1-1g/100mL)
안정성
흡습성
InChIKey
NFLLKCVHYJRNRH-UHFFFAOYSA-N
EPA
Dimenhydrinate (523-87-5)

화학적 성질

White SolidDimenhydrinate is freely soluble in ethanol and chloroform, slightly soluble in water, and almost in-soluble in ether.

Acute Tox. 4 (99%)

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Interactions · 2건

CHLORPHENIRAMINE COULD THEORETICALLY PREVENT BETA-ADRENERGIC BLOCKING EFFECT OF PROPRANOLOL & ENHANCE ITS QUINIDINE-LIKE EFFECT. .../ANTIHISTAMINES/ ARE SIMILAR TO CHLORPHENIRAMINE IN THEIR ACTIONS. OTHER ANTIHISTAMINES INCL...DIMENHYDRINATE...

PATIENTS RECEIVING ANTIHISTAMINES SHOULD BE WARNED AGAINST THE CONCOMITANT USE OF ALCOHOLIC BEVERAGES OR OTHER DRUGS THAT DEPRESS CNS... /ANTIHISTAMINES/

HepatotoxicityDespite widespread use, dimenhydrinate has not been linked to liver test abnormalities or to clinically apparent liver injury. The reason for its safety may relate to its limited duration of use.
Human Toxicity Excerpts · 5건

...POSSESS SIGNIFICANT ANTICHOLINERGIC ACTIVITY & HAVE PRONOUNCED TENDENCY TO INDUCE SEDATION. /ETHANOLAMINES/

SIDE EFFECT WITH HIGHEST INCIDENCE...IS SEDATION. ... OTHER...REFERABLE TO CENTRAL ACTIONS INCL DIZZINESS, TINNITUS, LASSITUDE, INCOORDINATION, FATIGUE, BLURRED VISION, DIPLOPIA, EUPHORIA, NERVOUSNESS, INSOMNIA, & TREMORS. /ANTIHISTAMINES/

...SIDE EFFECTS...DIGESTIVE TRACT...LOSS OF APPETITE, NAUSEA, VOMITING, EPIGASTRIC DISTRESS, & CONSTIPATION OR DIARRHEA. ...DRYNESS OF MOUTH, THROAT & RESP PASSAGES...COUGH; URINARY FREQUENCY & DYSURIA; PALPITATION, HYPOTENSION, HEADACHE; TIGHTNESS OF CHEST; & TINGLING, HEAVINESS & WEAKNESS OF HANDS. /ANTIHISTAMINES/

IN SMALL CHILD, DOMINANT EFFECT IS EXCITATION...INCL HALLUCINATIONS, EXCITEMENT, ATAXIA, INCOORDINATION, ATHETOSIS, & CONVULSIONS. ...OF INTERMITTENT TONIC-CLONIC TYPE... FIXED, DILATED PUPILS WITH FLUSHED FACE & FEVER... TERMINALLY...DEEPENING COMA WITH CARDIORESPIRATORY COLLAPSE & DEATH... /ANTIHISTAMINES/

For more Human Toxicity Excerpts (Complete) data for DIMENHYDRINATE (9 total), please visit the HSDB record page.

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Dimenhydrinate

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Non-Human Toxicity Excerpts · 2건

DIMENHYDRAMINE...WAS FOUND NOT TO BE TERATOGENIC TO SPRAGUE-DAWLEY RATS WHEN GIVEN THROUGHOUT PREGNANCY BEGINNING 3 DAYS BEFORE CONCEPTION.

...IN GUINEA PIGS PROTECTED FROM HISTAMINE-INDUCED ASPHYXIAL DEATH BY H1-BLOCKING DRUGS. ...MAY SUBSEQUENTLY DIE FROM PERFORATED ULCERATION AS RESULT OF GASTRIC HYPERSECRETION. /ANTIHISTAMINES/

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XH5082000
HS 번호
2939590000
risk_code
22-61-36/37/38
hazard_code
Xn,Xi
safety_code
22-26-36/37/39-53
기존화학 물질
KE-05601
유해 물질 데이터
523-87-5(Hazardous Substances Data)

Dimenhydrinate is a theoclate salt that separates into [diphenhydramine] and [8-chlorotheophylline]. diphenhydramine can either be N-glucuronidated by UGTs to diphenhydramine N-glucuronide or N-demethylated by CYP2D6, CYP1A2, CYP2C9, and CYP2C19 to N-desmethyldiphenhydramine. N-desmethyldiphenhydramine can be N-demethylated again by the same enzymes to N,N-didesmethyldiphenhydramine, which undergoes oxidative deamination to form diphenylmethoxyacetic acid.

EXTENSIVE STUDIES OF METABOLIC FATE OF ANTIHISTAMINES HAVE BEEN LIMITED TO A FEW COMPD. ... MAIN SITE OF METABOLIC TRANSFORMATION IS LIVER. /ANTIHISTAMINES/

FDA Pharmacological Classification · 2건

DIMENHYDRINATE

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

MeSH Pharmacological Classification · 2건

Drugs used to prevent NAUSEA or VOMITING.

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Absorption, Distribution and Excretion · 5건

A 50 mg oral film coated tablet reaches a Cmax of 72.6 ng/mL with a Tmax of 2.7 hours. A 100 mg suppository reaches a Cmax of 112.2 ng/mL with a Tmax of 5.3 hours.

Dimenhydrinate is predominantly eliminated in the urine. 1-3% of the dissociated diphenhydramine is eliminated in the urine unchanged, while 64% of diphenhydramine is eliminated in the urine as metabolites. The elimination of dimenhydrinate has not been fully studied.

The volume of distribution of dimenhydrinate is 3-4 L/kg.

DIMENHYDRINATE (ETHANOLAMINES): DURATION OF ACTION (HR) 4-6. /FROM TABLE/

H1 ANTAGONISTS ARE READILY ABSORBED FROM GI TRACT & PARENTERAL SITES OF ADMIN. FOLLOWING ORAL ADMIN, EFFECTS START WITHIN 15 TO 30 MIN, ARE FULLY DEVELOPED WITHIN 1 HR, & LAST ABOUT 3 TO 6 HR, ALTHOUGH SOME...ACT LONGER. /ANTIHISTAMINES/

용도 및 제조

Uses · 3건

MEDICATION

MEDICATION (VET)

Use (kg; approx.) in Germany (2009): >7500

Methods of Manufacturing · 2건

CUSIC, SCIENCE 109, 574 (1949); CUSIC, US PATENTS 2,499,058 & 2,534,813 (1950 TO SEARLE).

BY CAUSING DIMETHYLAMINOETHYL BENZHYDRYL ETHER TO COMBINE WITH 8-CHLOROTHEOPHYLLINE BY REFLUXING ISOPROPYL ALCOHOL SOLN. CRYSTALLINE PPT OF DIMENHYDRINATE WHICH FORMS ON COOLING IS COLLECTED BY FILTRATION, WASHED WITH COLD ETHYL ACETATE & DRIED.

Formulations/Preparations · 2건

INJECTION: 50 MG/ML; SUPPOSITORIES: 100 MG; SYRUP USP: 15 MG/5 ML; TABLETS USP: 50 MG.

...CONTAINS 53-55.5% OF DIPHENYLHYDRAMINE (C17-H21-N-O), & 44.47% OF 8-CHLOROTHEOPHYLLINE (C7-H7-CL-N4-O2).

General Manufacturing Information1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1): ACTIVE
응용 분야 · 3건

개요Dimenhydrinate (16.1.2) is a complex compound of N, N-dimethyl (2- diphenylmethoxy)ethylamine—diphenhydramine with 8-chlorotheophylline. While blocking the H1 receptor, dimenhydrinate simultaneously acts on the vomiting center.

용도Dimenhydrinate is used for preventing and stopping sea or airsickness, and for nausea and vomiting. Synonyms of this drug are dramamine, dadalon, emedyl, travelin, and others.

일반 설명The 8-chlorotheophyllinate (theoclate) salt of diphenhydramine, 8-chlorotheophylline 2-(diphenylmethoxy)-N,N-dimethylethylamine (Dramamine), is a white crystalline, odorless powder that is highly soluble in water and freely soluble in alcohol and chloroform. Dimenhydrinate is recommended for nausea of motion sickness and for hyperemesis gravidarum (nausea of pregnancy).

상·하류 제품 정보

상류 원료

8-클로로테오피린

공급사100 곳

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추가 설명 · 1건

정의ChEBI: The diphenhydramine salt of 8-chlorotheophylline. Its effects are similar to those of diphenhydramine, but it is less potent. It was thought that by combining the antiemetic effects of diphenhydramine with the mild stimulant effects of 8-chlorotheophyline, the extreme drowsiness induced by the former would be mitigated. However, the sedation caused by diphenhydramine is considerably stronger than the stimulation caused by 8-chlorotheophylline. Dimenhydrinate is used mainly as an antiemetic in the prevention nd treatment of motion sickness.