U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H23N3O3
Molecular Weight 401.4577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-(4-PIPERIDYLIDENE(8-QUINOLYL)METHYL)BENZOYL)AMINO)ACETIC ACID

SMILES

OC(=O)CNC(=O)C1=CC=C(C=C1)C(=C2CCNCC2)C3=C4N=CC=CC4=CC=C3

InChI

InChIKey=LFHVXPUJMLCZDE-UHFFFAOYSA-N
InChI=1S/C24H23N3O3/c28-21(29)15-27-24(30)19-8-6-16(7-9-19)22(17-10-13-25-14-11-17)20-5-1-3-18-4-2-12-26-23(18)20/h1-9,12,25H,10-11,13-15H2,(H,27,30)(H,28,29)

HIDE SMILES / InChI

Molecular Formula C24H23N3O3
Molecular Weight 401.4577
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:55:30 GMT 2023
Edited
by admin
on Sat Dec 16 15:55:30 GMT 2023
Record UNII
Q9XZ5QV2I5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-(4-PIPERIDYLIDENE(8-QUINOLYL)METHYL)BENZOYL)AMINO)ACETIC ACID
Common Name English
AZD-7268 METABOLITE M5
Common Name English
Code System Code Type Description
PUBCHEM
154584836
Created by admin on Sat Dec 16 15:55:30 GMT 2023 , Edited by admin on Sat Dec 16 15:55:30 GMT 2023
PRIMARY
FDA UNII
Q9XZ5QV2I5
Created by admin on Sat Dec 16 15:55:30 GMT 2023 , Edited by admin on Sat Dec 16 15:55:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
IN VITRO