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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15ClF4N4O5
Molecular Weight	514.814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

OCNC(=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=JBZVDHVFDWQJEX-UHFFFAOYSA-N

InChI=1S/C21H15ClF4N4O5/c22-15-3-1-11(7-14(15)21(24,25)26)28-20(33)29-17-4-2-12(8-16(17)23)35-13-5-6-30(34)18(9-13)19(32)27-10-31/h1-9,31H,10H2,(H,27,32)(H2,28,29,33)

HIDE SMILES / InChI

Molecular Formula	C21H15ClF4N4O5
Molecular Weight	514.814
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:53:08 UTC 2023` Edited by `admin` on `Sat Dec 16 08:53:08 UTC 2023`
Record UNII	8DT73F5HD2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

REGORAFENIB METABOLITE M1

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

8DT73F5HD2

Created by admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023

PRIMARY

PUBCHEM

156613570

Created by admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023

PRIMARY

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