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Oxazolam

HCID 4617
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
24143-17-7
표준 SMILES
CC1CN2CC(=O)Nc3ccc(Cl)cc3C2(c2ccccc2)O1
InChIKey
VCCZBYPHZRWKFY-UHFFFAOYSA-N
분자식
C18H17ClN2O2
평균 분자량
328.8 g/mol
단동위원소 질량
328.0978555

개요

Oxazolam is a hemiaminal ether and an organic molecular entity.

이름 및 식별자

우선 이름
Oxazolam
IUPAC
10-chloro-2-methyl-11b-phenyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
영어명
OXAZOLAM METHANOL SOLUTION
분자식
C18H17ClN2O2
분자량
328.79

이름 및 동의어

oxazolamOxazolazepamTranquitHializan24143-17-7Oxazolamum1V2WI2NA1CDTXSID502340110-Chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro(1,3)oxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one10-Chloro-2-methyl-11b-phenyl-2,3,7,11b-tetrahydro[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6(5H)-oneRefChem:857082DTXCID80209312
이름 더 보기
NebusnToccataSerenal (Japanese)o-2-methyl-11b-phenyl-OXAZOLAM METHANOL SOLUTION
10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenylbenzo(6,7)(1,4)diazepino(5,4-b) oxazol-6-one13-chloro-4-methyl-2-phenyl-3-oxa-6,9-diazatricyclo(8.4.0.0^(2,6))tetradeca-1(10),11,13-trien-8-one246-032-0SerenalSerenal [Japanese]10-Chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyloxazolo(3,2-d)(1,4)benzodiazepin-6(5H)-one10-Chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenyloxazolo[3,2-d][1,4]benzodiazepin-6(5H)-oneBenzo(6,7)-1,4-diazepino-(5,4-b)-oxazol-6-one, 10-chloro-2,3,5,6,7,11b-hexahydro-2-methyl-11b-phenyl-

데이터베이스 식별자

CAS
24143-17-7
PubChem CID
4617
DTXSID
DTXSID5023401
ChEMBL
CHEMBL2104805
ChEBI
CHEBI:31944
UNII
1V2WI2NA1C
EC Number
246-032-0
Nikkaji
J3.472J

물성

구조 계산 물성보충 중

XLogP
3
극성 표면적
41.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
23
형식 전하
0
복잡도
468

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Benzodiazepines

DEA Schedule IV Controlled Substance -> Depressants

물리화학적 성질

녹는점
187 °C · 187°C
끓는 점
495.8 · 495.8±45.0 °C(Predicted)
밀도
1.2065 · 1.2065 (rough estimate)
굴절률
1.54 · 1.5400 (estimate)
인화점
11 °C · 11 °C
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
12.85 · 12.85±0.60(Predicted)
물리적 상태
고체

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationDEA schedule IV controlled substance
Hazard Classes and CategoriesAcute Tox. 3 (100%)

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.

화학 및 산업

응용 분야

용도A psychotropic agent with anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a precursor to the active substance Desmethyldiazepam (D291595).

상·하류 제품 정보

상류 원료

5-CHLORO-2-CHLOROACETYLAMINOBENZOPHENONE(S)-(+)-1-Amino-2-propanol

관련 반응

7건
반응 기록 만들기
HRID 328480 반응식
HRID 328480생성물로uspto-grants-1977_04
HRID 328492 반응식
HRID 328492생성물로uspto-grants-1977_04
HRID 597626 반응식
HRID 597626생성물로uspto-grants-1977_03
HRID 1658603 반응식
HRID 1658603생성물로uspto-grants-1976_06
HRID 1973526 반응식
HRID 1973526생성물로uspto-grants-1976_12
HRID 2071945 반응식
HRID 2071945생성물로uspto-grants-1977_09
HRID 2071959 반응식
HRID 2071959생성물로uspto-grants-1977_09

화합물 노트

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Toxicity Summary · 1건

Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

독성
LD50 orl-mus: 5200 mg/kg NYKZAU 66,107,70
risk_code
11-23/24/25-39/23/24/25-36/38-23/25
hazard_code
F,T
safety_code
16-36/37-45-24
DEA Controlled Substances
CSCN: 2839CSA SCH: Schedule IVNARC: No