N-DESMETHYL REGORAFENIB N-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H13ClF4N4O4
Molecular Weight	484.788
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYL REGORAFENIB N-OXIDE

Structure Search

SMILES

NC(=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=JPEWXTSDCNCZOD-UHFFFAOYSA-N

InChI=1S/C20H13ClF4N4O4/c21-14-3-1-10(7-13(14)20(23,24)25)27-19(31)28-16-4-2-11(8-15(16)22)33-12-5-6-29(32)17(9-12)18(26)30/h1-9H,(H2,26,30)(H2,27,28,31)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

N-DESMETHYL REGORAFENIB N-OXIDE

Common Name

English

BAY-818752

Common Name

English

REGORAFENIB METABOLITE M5

Common Name

English

4-(4-((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)CARBAMOYLAMINO)-3-FLUORO-PHENOXY)-1-OXIDO-PYRIDIN-1-IUM-2-CARBOXAMIDE

Systematic Name

English

2-PYRIDINECARBOXAMIDE, 4-(4-((((4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)CARBONYL)AMINO)-3-FLUOROPHENOXY)-, 1-OXIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

53491673

Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023

PRIMARY

CAS

835621-12-0

Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023

PRIMARY

FDA UNII

2JAO521NBP

Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023

PRIMARY

EPA CompTox

DTXSID601106621

Created by admin on Sat Dec 16 08:53:07 GMT 2023 , Edited by admin on Sat Dec 16 08:53:07 GMT 2023

PRIMARY

PARENT (METABOLITE ACTIVE)


					24T2A1DOYB

REGORAFENIB ANHYDROUS

SUBSTANCE RECORD


					2JAO521NBP

N-DESMETHYL REGORAFENIB N-OXIDE