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Details

Stereochemistry ACHIRAL
Molecular Formula C20H13ClF4N4O3
Molecular Weight 468.789
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-751098

SMILES

NC(=O)C1=NC=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=C1

InChI

InChIKey=UJAPQTJRMGFPQS-UHFFFAOYSA-N
InChI=1S/C20H13ClF4N4O3/c21-14-3-1-10(7-13(14)20(23,24)25)28-19(31)29-16-4-2-11(8-15(16)22)32-12-5-6-27-17(9-12)18(26)30/h1-9H,(H2,26,30)(H2,28,29,31)

HIDE SMILES / InChI

Molecular Formula C20H13ClF4N4O3
Molecular Weight 468.789
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:56 UTC 2023
Edited
by admin
on Sat Dec 16 09:09:56 UTC 2023
Record UNII
58I22S7HYD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-751098
Common Name English
REGORAFENIB METABOLITE M4
Common Name English
4-(4-((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)-3-FLUORO-PHENOXY)PYRIDINE-2-CARBOXAMIDE
Systematic Name English
2-PYRIDINECARBOXAMIDE, 4-(4-((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)-3-FLUOROPHENOXY)-
Systematic Name English
Code System Code Type Description
CAS
1343498-72-5
Created by admin on Sat Dec 16 09:09:56 UTC 2023 , Edited by admin on Sat Dec 16 09:09:56 UTC 2023
PRIMARY
PUBCHEM
53491672
Created by admin on Sat Dec 16 09:09:56 UTC 2023 , Edited by admin on Sat Dec 16 09:09:56 UTC 2023
PRIMARY
FDA UNII
58I22S7HYD
Created by admin on Sat Dec 16 09:09:56 UTC 2023 , Edited by admin on Sat Dec 16 09:09:56 UTC 2023
PRIMARY
Related Record Type Details
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