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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11FN4O2
Molecular Weight 298.2718
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CINNOLINECARBOXAMIDE, 4-AMINO-8-(2-FLUORO-6-HYDROXYPHENYL)-

SMILES

NC(=O)C1=C(N)C2=C(N=N1)C(=CC=C2)C3=C(F)C=CC=C3O

InChI

InChIKey=IJOMQMXAVBVIFE-UHFFFAOYSA-N
InChI=1S/C15H11FN4O2/c16-9-5-2-6-10(21)11(9)7-3-1-4-8-12(17)14(15(18)22)20-19-13(7)8/h1-6,21H,(H2,17,19)(H2,18,22)

HIDE SMILES / InChI

Molecular Formula C15H11FN4O2
Molecular Weight 298.2718
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 15:25:51 GMT 2023
Edited
by admin
on Sat Dec 16 15:25:51 GMT 2023
Record UNII
8NSP69EFK4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CINNOLINECARBOXAMIDE, 4-AMINO-8-(2-FLUORO-6-HYDROXYPHENYL)-
Systematic Name English
AZD-7325 METABOLITE M13
Common Name English
Code System Code Type Description
CAS
2227432-63-3
Created by admin on Sat Dec 16 15:25:51 GMT 2023 , Edited by admin on Sat Dec 16 15:25:51 GMT 2023
PRIMARY
FDA UNII
8NSP69EFK4
Created by admin on Sat Dec 16 15:25:51 GMT 2023 , Edited by admin on Sat Dec 16 15:25:51 GMT 2023
PRIMARY
PUBCHEM
156596419
Created by admin on Sat Dec 16 15:25:51 GMT 2023 , Edited by admin on Sat Dec 16 15:25:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA