alpha-Hydroxytriazolam

HCID 1963CAS 37115-45-0

Grundinformationen

Standard-SMILES
OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChIKey
BHUYWUDMVCLHND-UHFFFAOYSA-N
Summenformel
C17H12Cl2N4O
Durchschnittliche Molmasse
359,2 g/mol
Monoisotopische Masse
358,0388164

Namen und Bezeichner

Bevorzugter Name
alpha-Hydroxytriazolam
IUPAC
[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
Englischer Name
ALPHA-HYDROXYTRIAZOLAM
Summenformel
C17H12Cl2N4O
Molmasse
359.21

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
63,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
24

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index3020

Physikochemische Eigenschaften

Schmelzpunkt
239 · 239-241°C
Siedepunkt
581.7 · 581.7±60.0 °C(Predicted)
Dichte
1.54 · 1.54±0.1 g/cm3(Predicted)
Flammpunkt
9 ℃ · 9℃
storage temp.
-20 °C · Controlled Substance, -20°C Freezer
Löslichkeit
DMF (Slightly), DMSO (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

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%)

Regulatorische Informationen

Regulatory Information · 1 Eintrag

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.

Sicherheitsdaten

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
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

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

Anwendungen

VerwendenA metabolite of Triazolam (T767380).

Anbieter4 Anbieter

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]

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