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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17FN4O8S
Molecular Weight 480.424
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

C[C@H](COC1=CN2N=CN=C(OC3=C(F)C4=C(NC(=C4)C(O)=O)C=C3)C2=C1C)OS(O)(=O)=O

InChI

InChIKey=ICGZOAZTZNMQRC-SECBINFHSA-N
InChI=1S/C19H17FN4O8S/c1-9(32-33(27,28)29)7-30-15-6-24-17(10(15)2)18(21-8-22-24)31-14-4-3-12-11(16(14)20)5-13(23-12)19(25)26/h3-6,8-9,23H,7H2,1-2H3,(H,25,26)(H,27,28,29)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H17FN4O8S
Molecular Weight 480.424
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:10 UTC 2023
Edited
by admin
on Sat Dec 16 16:11:10 UTC 2023
Record UNII
7HZD5DHP3R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-((2R)-2-(SULFOOXY)PROPOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
Systematic Name English
4-FLUORO-5-((5-METHYL-6-((2R)-2-(SULFOOXY)PROPOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-1H-INDOLE-2-CARBOXYLIC ACID
Systematic Name English
BRIVANIB METABOLITE M33
Common Name English
Code System Code Type Description
FDA UNII
7HZD5DHP3R
Created by admin on Sat Dec 16 16:11:10 UTC 2023 , Edited by admin on Sat Dec 16 16:11:10 UTC 2023
PRIMARY
CAS
1360431-91-9
Created by admin on Sat Dec 16 16:11:10 UTC 2023 , Edited by admin on Sat Dec 16 16:11:10 UTC 2023
PRIMARY
PUBCHEM
118753321
Created by admin on Sat Dec 16 16:11:10 UTC 2023 , Edited by admin on Sat Dec 16 16:11:10 UTC 2023
PRIMARY
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