BICIFADINE ACYL GLUCURONIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H21NO8
Molecular Weight	379.3612
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 ACYL GLUCURONIDE

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=C(C=C2)[C@@]34C[C@@H]3CNC4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=UNLHZOUJYVPQIJ-PCFYTTFNSA-N

InChI=1S/C18H21NO8/c20-11-12(21)14(15(23)24)26-17(13(11)22)27-16(25)8-1-3-9(4-2-8)18-5-10(18)6-19-7-18/h1-4,10-14,17,19-22H,5-7H2,(H,23,24)/t10-,11+,12+,13-,14+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H21NO8
Molecular Weight	379.3612
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 `Wed Apr 02 05:24:07 GMT 2025` Edited by `admin` on `Wed Apr 02 05:24:07 GMT 2025`
Record UNII	P1B6ON57VP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BICIFADINE METABOLITE M14A-F

Preferred Name

English

BICIFADINE ACYL GLUCURONIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1014696-50-4

Created by admin on Wed Apr 02 05:24:07 GMT 2025 , Edited by admin on Wed Apr 02 05:24:07 GMT 2025

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PUBCHEM

145722634

Created by admin on Wed Apr 02 05:24:07 GMT 2025 , Edited by admin on Wed Apr 02 05:24:07 GMT 2025

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FDA UNII

P1B6ON57VP

Created by admin on Wed Apr 02 05:24:07 GMT 2025 , Edited by admin on Wed Apr 02 05:24:07 GMT 2025

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Related Record Type Details


					B0SV3N7J3H

BICIFADINE

PARENT -> METABOLITE

Comments:

Combined with acid metabolite accounted for another 22.4% of the dose

Qualification:

URINE

Amount: