Des-(4-chloro-3-trifluoromethyl)-4-(methyl-4-hydroxypicolinate) Sorafenib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H23N5O6
Molecular Weight	513.5014
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Des-(4-chloro-3-trifluoromethyl)-4-(methyl-4-hydroxypicolinate) Sorafenib

Structure Search

SMILES

CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC=C(OC4=CC=NC(=C4)C(=O)OC)C=C3)C=C2)=CC=N1

InChI

InChIKey=LYFLMAXULJNQKQ-UHFFFAOYSA-N

InChI=1S/C27H23N5O6/c1-28-25(33)23-15-21(11-13-29-23)37-19-7-3-17(4-8-19)31-27(35)32-18-5-9-20(10-6-18)38-22-12-14-30-24(16-22)26(34)36-2/h3-16H,1-2H3,(H,28,33)(H2,31,32,35)

HIDE SMILES / InChI

Molecular Formula	C27H23N5O6
Molecular Weight	513.5014
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 19:48:08 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:08 GMT 2023`
Record UNII	2J4P3QJ5UP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Des-(4-chloro-3-trifluoromethyl)-4-(methyl-4-hydroxypicolinate) Sorafenib

Systematic Name

English

Methyl 4-[4-[[[[4-[[2-[(methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylate

Common Name

English

2-Pyridinecarboxylic acid, 4-[4-[[[[4-[[2-[(methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino]carbonyl]amino]phenoxy]-, methyl ester

Systematic Name

English

Sorafenib Impurity C

Common Name

English

Code System Code Type Description

FDA UNII

2J4P3QJ5UP

Created by admin on Sat Dec 16 19:48:08 GMT 2023 , Edited by admin on Sat Dec 16 19:48:08 GMT 2023

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PUBCHEM

154631507

Created by admin on Sat Dec 16 19:48:08 GMT 2023 , Edited by admin on Sat Dec 16 19:48:08 GMT 2023

PRIMARY

CAS

2204442-52-2

Created by admin on Sat Dec 16 19:48:08 GMT 2023 , Edited by admin on Sat Dec 16 19:48:08 GMT 2023

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