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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11FN4O7S
Molecular Weight 422.345
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-(SULFOOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-

SMILES

CC1=C2N(C=C1OS(O)(=O)=O)N=CN=C2OC3=C(F)C4=C(NC(=C4)C(O)=O)C=C3

InChI

InChIKey=ZEGQFEHYNYZMTO-UHFFFAOYSA-N
InChI=1S/C16H11FN4O7S/c1-7-12(28-29(24,25)26)5-21-14(7)15(18-6-19-21)27-11-3-2-9-8(13(11)17)4-10(20-9)16(22)23/h2-6,20H,1H3,(H,22,23)(H,24,25,26)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-(SULFOOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
Systematic Name English
BRIVANIB METABOLITE M32
Common Name English
Code System Code Type Description
PUBCHEM
118753100
Created by admin on Sat Dec 16 16:11:10 GMT 2023 , Edited by admin on Sat Dec 16 16:11:10 GMT 2023
PRIMARY
FDA UNII
2Q3D31BC76
Created by admin on Sat Dec 16 16:11:10 GMT 2023 , Edited by admin on Sat Dec 16 16:11:10 GMT 2023
PRIMARY
CAS
1360431-54-4
Created by admin on Sat Dec 16 16:11:10 GMT 2023 , Edited by admin on Sat Dec 16 16:11:10 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BRIVANIB
NIH
NCATS
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