BAY-757495

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 Search

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

PARENT (METABOLITE ACTIVE)


					24T2A1DOYB

REGORAFENIB ANHYDROUS

SUBSTANCE RECORD


					A56AQ8HGJ9

BAY-757495