3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C21H18ClFN2O8
Molecular Weight	480.828
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2N=C(C3=C(F)C=CC=C3)C4=C(NC2=O)C=CC(Cl)=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=XMIUOBOPNGKMER-IFBJMGMISA-N

InChI=1S/C21H18ClFN2O8/c22-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)23)25-19(18(29)24-12)33-21-16(28)14(26)15(27)17(32-21)20(30)31/h1-7,14-17,19,21,26-28H,(H,24,29)(H,30,31)/t14-,15-,16+,17-,19?,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18ClFN2O8
Molecular Weight	480.828
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 `Sat Dec 16 09:29:41 GMT 2023` Edited by `admin` on `Sat Dec 16 09:29:41 GMT 2023`
Record UNII	TQV45T629X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-N-DESALKYL-2-OXOQUAZEPAM GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 7-CHLORO-5-(2-FLUOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL

Systematic Name

English

Code System Code Type Description

FDA UNII

TQV45T629X

Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023

PRIMARY

CAS

81944-07-2

Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023

PRIMARY

PUBCHEM

91810540

Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023

PRIMARY

Related Record Type Details


					JF8V0828ZI

QUAZEPAM

PARENT -> METABOLITE

Comments:

Large amount in urine

Qualification:

URINE