alpha-Hydroxytriazolam

HCID 1963CAS 37115-45-0

기본 정보

표준 SMILES
OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChIKey
BHUYWUDMVCLHND-UHFFFAOYSA-N
분자식
C17H12Cl2N4O
평균 분자량
359.2 g/mol
단동위원소 질량
358.0388164

이름 및 식별자

우선 이름
alpha-Hydroxytriazolam
IUPAC
[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
영어명
ALPHA-HYDROXYTRIAZOLAM
분자식
C17H12Cl2N4O
분자량
359.21

이름 및 동의어

alpha-Hydroxytriazolam37115-45-01-Hydroxymethyltriazolam[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanolJ53Y2M2SAH4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-DTXSID50958284(8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methanolRefChem:555758DTXCID50908507636-834-21'-Hydroxy Triazolam
이름 더 보기
1HydroxyTriazolamα-HydroxytriazolamA-hydroxytriazolamα-hydroxy Triazolam (CRM)α-Hydroxytriazolam solutionα-Hydroxytriazolam solutionalpha-Hydroxytriazolam solutionALPHA-HYDROXYTRIAZOLAM,100/MLINMETHANOL
1'-hydroxytriazolam1'-Hydroxy Triazolam (1.0 mg/mL in DMSO)?-hydroxy Triazolam1-Hydroxy Triazolam.alpha.-hydroxy-triazolamUNII-J53Y2M2SAHorb3143450.ALPHA.-HYDROXYTRIAZOLAM

데이터베이스 식별자

CAS
37115-45-0
PubChem CID
1963
DTXSID
DTXSID50958284
ChEMBL
CHEMBL3246753
ChEBI
CHEBI:166535
UNII
J53Y2M2SAH
EC Number
636-834-2
Nikkaji
J435.417F

물성

구조 계산 물성

XLogP
1.2
극성 표면적
63.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
24

실험 및 물리화학적 성질

Kovats Retention Index3020

물리화학적 성질

녹는점
239 · 239-241°C
끓는 점
581.7 · 581.7±60.0 °C(Predicted)
밀도
1.54 · 1.54±0.1 g/cm3(Predicted)
인화점
9 ℃ · 9℃
저장 조건
-20 °C · Controlled Substance, -20°C Freezer
용해도
DMF(약간 용해됨), DMSO(약간 용해됨)

화학적 성질

Light Green Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H361 (97.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 1건

4H-1,2,4Triazolo4,3-a1,4benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%);Repr. 2 (97.5%)

규제 정보

Regulatory Information · 1건

4H-1,2,4Triazolo4,3-a1,4benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk
3
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
risk_code
20/21/22-63-39/23/24/25-23/24/25-11
hazard_code
Xn,T,F
safety_code
22-36-45-36/37-16-7
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralRepr. 2

화학 및 산업

약리 정보

Metabolism/MetabolitesAlpha-Hydroxytriazolam is a known human metabolite of triazolam.
Tissue LocationsKidney;Liver
Cellular LocationsCytoplasm;Membrane

응용 분야

용도A metabolite of Triazolam (T767380).

공급사4 곳

贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

관련 반응

10건

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