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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15ClF4N4O4
Molecular Weight 498.815
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-757495

SMILES

CNC(=O)C1=[N+]([O-])C=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=C1

InChI

InChIKey=NUCXNEKIESREQY-UHFFFAOYSA-N
InChI=1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32)

HIDE SMILES / InChI

Approval Year

Name Type Language
BAY-757495
Common Name English
REGORAFENIB METABOLITE M2
Common Name English
4-(4-((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)-3-FLUORO-PHENOXY)-N-METHYL-1-OXIDO-PYRIDIN-1-IUM-2-CARBOXAMIDE
Systematic Name English
2-PYRIDINECARBOXAMIDE, 4-(4-((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)-3-FLUOROPHENOXY)-N-METHYL-, 1-OXIDE
Systematic Name English
Code System Code Type Description
FDA UNII
A56AQ8HGJ9
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY
PUBCHEM
53491674
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY
CAS
835621-11-9
Created by admin on Sat Dec 16 09:09:55 GMT 2023 , Edited by admin on Sat Dec 16 09:09:55 GMT 2023
PRIMARY