.ALPHA.-HYDROXYTRIAZOLAM GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H20Cl2N4O7
Molecular Weight	535.334
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-HYDROXYTRIAZOLAM GLUCURONIDE

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OCC2=NN=C3CN=C(C4=CC=CC=C4Cl)C5=CC(Cl)=CC=C5N23)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=RDLSZWLBSGMZJL-KHYDEXNFSA-N

InChI=1S/C23H20Cl2N4O7/c24-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)25)26-8-15-27-28-16(29(14)15)9-35-23-20(32)18(30)19(31)21(36-23)22(33)34/h1-7,18-21,23,30-32H,8-9H2,(H,33,34)/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H20Cl2N4O7
Molecular Weight	535.334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:58:25 GMT 2023` Edited by `admin` on `Sat Dec 16 13:58:25 GMT 2023`
Record UNII	VEN8FQ74DX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-HYDROXYTRIAZOLAM GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (8-CHLORO-6-(2-CHLOROPHENYL)-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-1-YL)METHYL

Systematic Name

English

Code System Code Type Description

PUBCHEM

102373781

Created by admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023

PRIMARY

FDA UNII

VEN8FQ74DX

Created by admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023

PRIMARY

CAS

76936-97-5

Created by admin on Sat Dec 16 13:58:26 GMT 2023 , Edited by admin on Sat Dec 16 13:58:26 GMT 2023

PRIMARY

Related Record Type Details


					1HM943223R

TRIAZOLAM

PARENT -> METABOLITE ACTIVE

Comments:

Major urine metabolite

Qualification:

URINE