3-HYDROXY-2-OXOQUAZEPAM GLUCURONIDE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C23H19ClF4N2O8
Molecular Weight	562.852
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-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(C=CC(Cl)=C4)N(CC(F)(F)F)C2=O)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=UQEYSCSEDAQQFY-RYQNVSPKSA-N

InChI=1S/C23H19ClF4N2O8/c24-9-5-6-13-11(7-9)14(10-3-1-2-4-12(10)25)29-19(20(34)30(13)8-23(26,27)28)38-22-17(33)15(31)16(32)18(37-22)21(35)36/h1-7,15-19,22,31-33H,8H2,(H,35,36)/t15-,16-,17+,18-,19?,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H19ClF4N2O8
Molecular Weight	562.852
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 18:31:43 UTC 2023` Edited by `admin` on `Sat Dec 16 18:31:43 UTC 2023`
Record UNII	81A95YQJ6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-2-OXOQUAZEPAM GLUCURONIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810590

Created by admin on Sat Dec 16 18:31:43 UTC 2023 , Edited by admin on Sat Dec 16 18:31:43 UTC 2023

PRIMARY

FDA UNII

81A95YQJ6A

Created by admin on Sat Dec 16 18:31:43 UTC 2023 , Edited by admin on Sat Dec 16 18:31:43 UTC 2023

PRIMARY

CAS

96107-52-7

Created by admin on Sat Dec 16 18:31:43 UTC 2023 , Edited by admin on Sat Dec 16 18:31:43 UTC 2023

PRIMARY

Related Record Type Details


					JF8V0828ZI

QUAZEPAM

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA; URINE