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Details

Stereochemistry UNKNOWN
Molecular Formula C19H15FN4O3
Molecular Weight 366.3458
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-FLUORO-6-METHOXYPHENYL)-2-(1-HYDROXYETHYL)PYRIMIDO(5,4-C)CINNOLIN-4(3H)-ONE

SMILES

COC1=CC=CC(F)=C1C2=CC=CC3=C2N=NC4=C3N=C(NC4=O)C(C)O

InChI

InChIKey=OAGFBMMUBPOYKN-UHFFFAOYSA-N
InChI=1S/C19H15FN4O3/c1-9(25)18-21-16-11-6-3-5-10(14-12(20)7-4-8-13(14)27-2)15(11)23-24-17(16)19(26)22-18/h3-9,25H,1-2H3,(H,21,22,26)

HIDE SMILES / InChI

Molecular Formula C19H15FN4O3
Molecular Weight 366.3458
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:40:46 GMT 2023
Edited
by admin
on Sat Dec 16 15:40:46 GMT 2023
Record UNII
9D9N7S3AA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(2-FLUORO-6-METHOXYPHENYL)-2-(1-HYDROXYETHYL)PYRIMIDO(5,4-C)CINNOLIN-4(3H)-ONE
Systematic Name English
AZD-7325 METABOLITE M42
Common Name English
PYRIMIDO(5,4-C)CINNOLIN-4(3H)-ONE, 7-(2-FLUORO-6-METHOXYPHENYL)-2-(1-HYDROXYETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
156028099
Created by admin on Sat Dec 16 15:40:46 GMT 2023 , Edited by admin on Sat Dec 16 15:40:46 GMT 2023
PRIMARY
CAS
2229858-21-1
Created by admin on Sat Dec 16 15:40:46 GMT 2023 , Edited by admin on Sat Dec 16 15:40:46 GMT 2023
PRIMARY
FDA UNII
9D9N7S3AA4
Created by admin on Sat Dec 16 15:40:46 GMT 2023 , Edited by admin on Sat Dec 16 15:40:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Metabolites M9, M10, and M42 were either minor or absent in plasma samples after a single dose; however, all became major metabolites in human and preclinical animal plasma after repeated doses and circulated in humans longer than 48 hours after the end of seven repeated doses
PLASMA