SAFUSIDENIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H18Cl3FN2O4
Molecular Weight	535.779
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CN(C(=O)C2=C(ON=C2C3=C(Cl)C=C(Cl)C=C3Cl)C(C)(C)F)C4=CC=CC(\C=C\C(O)=O)=C14

InChI

InChIKey=BOOMBLZEOHXPPX-BQYQJAHWSA-N

InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+

HIDE SMILES / InChI

Molecular Formula	C25H18Cl3FN2O4
Molecular Weight	535.779
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:18:24 GMT 2023` Edited by `admin` on `Sat Dec 16 18:18:24 GMT 2023`
Record UNII	RCK8KK7SB9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAFUSIDENIB

Official Name

English

(2E)-3-[1-[[5-(1-Fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indol-4-yl]-2-propenoic acid

Systematic Name

English

DS-1001 free acid

Code

English

AB-291 free acid

Code

English

2-Propenoic acid, 3-[1-[[5-(1-fluoro-1-methylethyl)-3-(2,4,6-trichlorophenyl)-4-isoxazolyl]carbonyl]-3-methyl-1H-indol-4-yl]-, (2E)-

Systematic Name

English

safusidenib [INN]

Common Name

English

Code System Code Type Description

INN

11941