BICIFADINE LACTAM ACYL GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H19NO9
Molecular Weight	393.3448
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0
Stereo Comments	RACEMIC (CIS) IN FUSED RING

SHOW SMILES / InChI

Structure of BICIFADINE LACTAM ACYL GLUCURONIDE

Structure Search

SMILES

[H][C@]12C[C@]1(CNC2=O)C3=CC=C(C=C3)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=KCLCGVDDXPZZBE-SUBGHEKJSA-N

InChI=1S/C18H19NO9/c20-10-11(21)13(15(24)25)27-17(12(10)22)28-16(26)7-1-3-8(4-2-7)18-5-9(18)14(23)19-6-18/h1-4,9-13,17,20-22H,5-6H2,(H,19,23)(H,24,25)/t9-,10+,11+,12-,13+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H19NO9
Molecular Weight	393.3448
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:34:30 GMT 2023` Edited by `admin` on `Sat Dec 16 15:34:30 GMT 2023`
Record UNII	VGL5Q49BR6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BICIFADINE LACTAM ACYL GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(4-(4-OXO-3-AZABICYCLO(3.1.0)HEX-1-YL)BENZOATE)

Systematic Name

English

BICIFADINE METABOLITE M31B-F

Common Name

English

Code System Code Type Description

FDA UNII

VGL5Q49BR6

Created by admin on Sat Dec 16 15:34:30 GMT 2023 , Edited by admin on Sat Dec 16 15:34:30 GMT 2023

PRIMARY

PUBCHEM

145722615

Created by admin on Sat Dec 16 15:34:30 GMT 2023 , Edited by admin on Sat Dec 16 15:34:30 GMT 2023

PRIMARY

CAS

1014696-52-6

Created by admin on Sat Dec 16 15:34:30 GMT 2023 , Edited by admin on Sat Dec 16 15:34:30 GMT 2023

PRIMARY

Related Record Type Details


					B0SV3N7J3H

BICIFADINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: