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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19FN4O6S
Molecular Weight 450.441
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPANOL, 1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO(2,1-F)(1,2,4)TRIAZIN-6-YL)OXY)-, 2-(HYDROGEN SULFATE), (2R)-

SMILES

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

InChI

InChIKey=QPCFTEORHPYSBL-LLVKDONJSA-N
InChI=1S/C19H19FN4O6S/c1-10-6-13-14(23-10)4-5-15(17(13)20)29-19-18-12(3)16(7-24(18)22-9-21-19)28-8-11(2)30-31(25,26)27/h4-7,9,11,23H,8H2,1-3H3,(H,25,26,27)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H19FN4O6S
Molecular Weight 450.441
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 16:33:44 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:44 GMT 2023
Record UNII
6W0KP2SE7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPANOL, 1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO(2,1-F)(1,2,4)TRIAZIN-6-YL)OXY)-, 2-(HYDROGEN SULFATE), (2R)-
Systematic Name English
BRIVANIB METABOLITE M25
Common Name English
Code System Code Type Description
CAS
1285403-71-5
Created by admin on Sat Dec 16 16:33:44 GMT 2023 , Edited by admin on Sat Dec 16 16:33:44 GMT 2023
PRIMARY
FDA UNII
6W0KP2SE7Q
Created by admin on Sat Dec 16 16:33:44 GMT 2023 , Edited by admin on Sat Dec 16 16:33:44 GMT 2023
PRIMARY
PUBCHEM
51352971
Created by admin on Sat Dec 16 16:33:44 GMT 2023 , Edited by admin on Sat Dec 16 16:33:44 GMT 2023
PRIMARY
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