U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of SAFUSIDENIB

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

Approval Year

Name Type Language
SAFUSIDENIB
INN  
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
Created by admin on Sat Dec 16 18:18:24 GMT 2023 , Edited by admin on Sat Dec 16 18:18:24 GMT 2023
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FDA UNII
RCK8KK7SB9
Created by admin on Sat Dec 16 18:18:24 GMT 2023 , Edited by admin on Sat Dec 16 18:18:24 GMT 2023
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NCI_THESAURUS
C148134
Created by admin on Sat Dec 16 18:18:24 GMT 2023 , Edited by admin on Sat Dec 16 18:18:24 GMT 2023
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PUBCHEM
130306983
Created by admin on Sat Dec 16 18:18:24 GMT 2023 , Edited by admin on Sat Dec 16 18:18:24 GMT 2023
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CAS
1898206-17-1
Created by admin on Sat Dec 16 18:18:24 GMT 2023 , Edited by admin on Sat Dec 16 18:18:24 GMT 2023
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SMS_ID
300000042093
Created by admin on Sat Dec 16 18:18:24 GMT 2023 , Edited by admin on Sat Dec 16 18:18:24 GMT 2023
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