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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

SMILES

[H][C@]12C[C@]1(CNC2)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=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 Sat Dec 16 15:21:03 UTC 2023
Edited
by admin
on Sat Dec 16 15:21:03 UTC 2023
Record UNII
P1B6ON57VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BICIFADINE ACYL GLUCURONIDE
Common Name English
BICIFADINE METABOLITE M14A-F
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 Sat Dec 16 15:21:03 UTC 2023 , Edited by admin on Sat Dec 16 15:21:03 UTC 2023
PRIMARY
PUBCHEM
145722634
Created by admin on Sat Dec 16 15:21:03 UTC 2023 , Edited by admin on Sat Dec 16 15:21:03 UTC 2023
PRIMARY
FDA UNII
P1B6ON57VP
Created by admin on Sat Dec 16 15:21:03 UTC 2023 , Edited by admin on Sat Dec 16 15:21:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Combined with acid metabolite accounted for another 22.4% of the dose
URINE