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Phenazepam

HCID 40113
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
51753-57-2
표준 SMILES
O=C1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1
InChIKey
CGMJQQJSWIRRRL-UHFFFAOYSA-N
분자식
C15H10BrClN2O
평균 분자량
349.61 g/mol
단동위원소 질량
347.9665

개요

Phenazepam is under investigation in clinical trial NCT03017430 (Pregabalin for Opiate Withdrawal Syndrome).

이름 및 식별자

우선 이름
Phenazepam
IUPAC
7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
영어명
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one
분자식
C15H10BrClN2O
분자량
349.61

이름 및 동의어

Phenazepam51753-57-2FenazepamBD 983DSB43090Z2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-5-(2-chlorophenyl)-DTXSID00199685BD-982H-1,4-BENZODIAZEPIN-2-ONE, 7-BROMO-5-(2-CHLOROPHENYL)-1,3-DIHYDRO-RefChem:860548DTXCID601221767-bromo-5-(2-chlorophenyl) 1,3-dihydro-2H-1,4-benzodiazepin-2-one
이름 더 보기
CJC-1295 with DACbd98PHENATZEPAMPhenazepam (CRM)IFLAB-BB F0133-0017Phenazepam solution7-Chloro-5-(2-fluoro-phenyl)-1
7-bromo-5-(2-chlorphenyl)-1,2-dihydro-3H-1,4-benzodiazepin-2-onePhenazapam7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneC15H10BrClN2O7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-3H-1,4-benzodiazepin-2-one7-bromo-5-(2-chlorophenyl)-1H-benzo[e][1,4]diazepin-2(3H)-oneBRN 0889456UNII-3DSB43090Z

데이터베이스 식별자

CAS
51753-57-2
PubChem CID
40113
DTXSID
DTXSID00199685

물성

구조 계산 물성

XLogP
3.3
극성 표면적
41.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
20
형식 전하
0
복잡도
415

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Benzodiazepines

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

LogP3.3
Collision Cross Section166 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

물리화학적 성질

녹는점
214 · 214-224°C
끓는 점
493 · 493.0±45.0 °C(Predicted)
밀도
1.61 · 1.61±0.1 g/cm3(Predicted)
인화점
2 ℃ · 2℃
저장 조건
-20 °C · Controlled Substance, -20°C Freezer
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
11.58 · 11.58±0.70(Predicted)
색상
옅은 노랑
주요 응용
임상 시험
InChI
1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey
CGMJQQJSWIRRRL-UHFFFAOYSA-N

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P203, P260, P263, P264, P264+P265, P270, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (95.2%)

안전 데이터

wgk
2
ridadr
UN 1648 3 / PGII
독성
LD50 ipr-rat: 720 mg/kg KHFZAN 13(10),108,79
risk_code
11-20/21/22-36
hazard_code
F,Xn
safety_code
16-36/37
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Muta. 1B
스토리지 클래스
3 - Flammable liquids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Drugs used to prevent SEIZURES or reduce their severity.

Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function.

응용 분야 · 3건

개요Phenazepam (CRM) (Item No. ISO60172) is a certified reference material categorized as a benzodiazepine. It has sedative and hypnotic properties and has been detected in illicit tablets. This product is intended for research and forensic applications.

용도7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one is used in the treatment of neurological disorders such as epilepsy, alcohol withdrawal and insomnia. It can be used as a premedication before surgery as it augments the effects of anesthetics and reduces anxiety

일반 설명Phenazepam, a benzodiazepine drug produced in Russia, is used in Europe as an anxiolytic, anticonvulsant, and muscle relaxant. Although not used therapeutically in the US, the drug can be purchased on the internet for “laboratory research” purposes. Cases of abuse have been reported from European countries such as Sweden and Russia to states including New York, Kentucky, North Carolina, and Georgia.

관련 반응

2건
반응 기록 만들기
HRID 302982 반응식
HRID 302982반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1076393 반응식
HRID 1076393반응물로uspto-grants-1976_05

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEMBL
CHEMBL1709464
UNII
3DSB43090Z
EC Number
682-231-2
Nikkaji
J22.283F
SMILES
Clc1ccccc1C2=NCC(=O)Nc3ccc(Br)cc23

화학적 성질

7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one is Pale Yellow Solid