4-HYDROXYESTAZOLAM GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H19ClN4O7
Molecular Weight	486.862
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-HYDROXYESTAZOLAM GLUCURONIDE

Structure Search

SMILES

O[C@H]1[C@H](OC2N=C(C3=CC=CC=C3)C4=CC(Cl)=CC=C4N5C=NN=C25)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=AIXPATJILANSBT-FSERQMRGSA-N

InChI=1S/C22H19ClN4O7/c23-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)25-20(19-26-24-9-27(13)19)34-22-17(30)15(28)16(29)18(33-22)21(31)32/h1-9,15-18,20,22,28-30H,(H,31,32)/t15-,16-,17+,18-,20?,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H19ClN4O7
Molecular Weight	486.862
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:21:17 GMT 2025` Edited by `admin` on `Tue Apr 01 21:21:17 GMT 2025`
Record UNII	MKU3PJF3WP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CONJUGATED 4-HYDROXYESTAZOLAM

Preferred Name

English

4-HYDROXYESTAZOLAM GLUCURONIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

MKU3PJF3WP

Created by admin on Tue Apr 01 21:21:17 GMT 2025 , Edited by admin on Tue Apr 01 21:21:17 GMT 2025

PRIMARY

PUBCHEM

165411931

Created by admin on Tue Apr 01 21:21:17 GMT 2025 , Edited by admin on Tue Apr 01 21:21:17 GMT 2025

PRIMARY

Related Record Type Details


					36S3EQV54C

ESTAZOLAM

PARENT -> METABOLITE

Comments:

Minor Metabolite