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Fludiazepam

HCID 3369
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
3900-31-0
표준 SMILES
CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21
InChIKey
ROYOYTLGDLIGBX-UHFFFAOYSA-N
분자식
C16H12ClFN2O
평균 분자량
302.73 g/mol
단동위원소 질량
302.0622189

개요

Fludiazepam is a 1,4-benzodiazepinone, an organochlorine compound and an organofluorine compound. It has a role as an anxiolytic drug. It is functionally related to a diazepam and a monofluorobenzene.

이름 및 식별자

우선 이름
Fludiazepam
IUPAC
7-chloro-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
영어명
Fludiazepam
분자식
C16H12ClFN2O
분자량
302.73

이름 및 동의어

fludiazepamErispan3900-31-0Fludiazepamum7-Chloro-5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-oneCHEBI:316187F64A2K16Z7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one7-Chloro-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneDTXSID001922777-chloro-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-onefludiazepan
이름 더 보기
id540Ro-5-3438Fludiazepam USP/EP/BPFludiazepam, 1mg/ml in MethanolBis(N,N-dibutylamine)-N,N’-disulfide-d36
RefChem:599328DTXCID10114768N05BA171-methyl-5-(2-fluorophenyl)-7-chloro-1,3-dihydro-2H-(1,4)benzodiazepin-2-oneFludiazepamum [INN-Latin]7-chloro-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-oneID-540Fludiazepam [INN:JAN]

데이터베이스 식별자

CAS
3900-31-0
PubChem CID
3369
DTXSID
DTXSID00192277
ChEMBL
CHEMBL13291
ChEBI
CHEBI:31618
UNII
7F64A2K16Z
Nikkaji
J3.410J

물성

구조 계산 물성

XLogP
2.8
극성 표면적
32.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
21
형식 전하
0
복잡도
442

실험 및 물리화학적 성질

Drugs · 5건

DEA NFLIS-Drug Category -> Benzodiazepines

DEA Schedule IV Controlled Substance -> Depressants

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Pharmaceuticals -> Nervous system -> Anxiolytics

LogP · 2건

2.75

2.75

Solubility1.44e-02 g/L
Human DrugsPharmaceuticals
Melting Point · 2건

218.5-219

295 - 297 °C

Physical DescriptionSolid

물리화학적 성질

녹는점
88 · 88-92°; mp 69-72° (Sternbach)
끓는 점
498.1 · 498.1±45.0 °C(Predicted)
밀도
1.3159 · 1.3159 (estimate)
용해도
25 mg/ml; · DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 15 mg/ml; Ethanol: 1 mg/ml
물리적 상태
결정성 고체
산도 계수 (pKa)
2.29 · pKa 2.29±0.009(H2O) (Uncertain)
NIST
Fludiazepam(3900-31-0)

안전 및 규제

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

유해성 정보

Regulatory InformationDEA schedule IV controlled substance

독성 정보

Treatment · 1건

General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended.

Toxicity SummaryFludiazepam has similar action to diazepam, but binds with four times more affinity to benzodiazepine receptors than diazepam.
Signs and SymptomsSymptoms of overdose include drowsiness, weakness, nausea, dizziness, abdominal pain, cerebral oedema and renal tubular necrosis, hyperglycaemia and hypoglycaemia, liver damage, encephalopathy, coma and death.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

독성
LD50 in mice (mg/kg): 910 orally; 360 i.p.; 1150 s.c. (Asami)

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

PharmacodynamicsFludiazepam is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Fludiazepam accumulates primarily in the cortex and thalamus.
Mechanism of ActionFludiazepam has similar action to diazepam, but binds with four times more affinity to benzodiazepine receptors than diazepam.
Metabolism/Metabolites · 2건

Hepatic.

Hepatic.

MeSH Pharmacological Classification · 3건

Drugs used to prevent SEIZURES or reduce their severity.

A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.

Cellular LocationsMembrane

용도 및 제조

UsesUsed for the short-term treatment of anxiety disorders.
Use ClassificationPharmaceuticals

응용 분야

개요Fludiazepam (Item No. 22424) is an analytical reference standard categorized as a benzodiazepine. Fludiazepam is regulated as a Schedule IV compound in the United States. This product is intended for research and forensic applications.

용도Fludiazepam is a drug which is a benzodiazepine derivative. Fludiazepam possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties.

상·하류 제품 정보

상류 원료

염산크롬(6+) 트리산화물염화나트륨

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