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Details

Stereochemistry RACEMIC
Molecular Formula C18H17FN4O3
Molecular Weight 356.351
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CINNOLINECARBOXAMIDE, 4-AMINO-8-(2-FLUORO-6-HYDROXYPHENYL)-N-(1-HYDROXYPROPYL)-

SMILES

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

InChI

InChIKey=SPRWPWWUIAJUAN-UHFFFAOYSA-N
InChI=1S/C18H17FN4O3/c1-2-13(25)21-18(26)17-15(20)10-6-3-5-9(16(10)22-23-17)14-11(19)7-4-8-12(14)24/h3-8,13,24-25H,2H2,1H3,(H2,20,22)(H,21,26)

HIDE SMILES / InChI

Molecular Formula C18H17FN4O3
Molecular Weight 356.351
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 15:38:32 GMT 2023
Edited
by admin
on Sat Dec 16 15:38:32 GMT 2023
Record UNII
A5AYH46SPV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CINNOLINECARBOXAMIDE, 4-AMINO-8-(2-FLUORO-6-HYDROXYPHENYL)-N-(1-HYDROXYPROPYL)-
Systematic Name English
AZD-7325 METABOLITE M15
Common Name English
Code System Code Type Description
FDA UNII
A5AYH46SPV
Created by admin on Sat Dec 16 15:38:33 GMT 2023 , Edited by admin on Sat Dec 16 15:38:33 GMT 2023
PRIMARY
CAS
2227432-18-8
Created by admin on Sat Dec 16 15:38:33 GMT 2023 , Edited by admin on Sat Dec 16 15:38:33 GMT 2023
PRIMARY
PUBCHEM
156028091
Created by admin on Sat Dec 16 15:38:33 GMT 2023 , Edited by admin on Sat Dec 16 15:38:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA