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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H18Cl3FN2O4.C4H11N
Molecular Weight 608.916
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SAFUSIDENIB ERBUMINE

SMILES

CC(C)(C)N.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=UPPAAWQBZQBNIE-USRGLUTNSA-N
InChI=1S/C25H18Cl3FN2O4.C4H11N/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;1-4(2,3)5/h4-11H,1-3H3,(H,32,33);5H2,1-3H3/b8-7+;

HIDE SMILES / InChI

Molecular Formula C4H11N
Molecular Weight 73.1368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 19:17:50 GMT 2023
Edited
by admin
on Sat Dec 16 19:17:50 GMT 2023
Record UNII
9J2M48GC2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAFUSIDENIB ERBUMINE
INN  
Common Name English
DS1001
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]-, compd. with 2-methyl-2-propanamine (1:1), (2E)-
Systematic Name English
AB291
Code English
AB-291
Code English
DS-1001
Code English
Code System Code Type Description
PUBCHEM
139600317
Created by admin on Sat Dec 16 19:17:50 GMT 2023 , Edited by admin on Sat Dec 16 19:17:50 GMT 2023
PRIMARY
CAS
1898207-64-1
Created by admin on Sat Dec 16 19:17:50 GMT 2023 , Edited by admin on Sat Dec 16 19:17:50 GMT 2023
PRIMARY
FDA UNII
9J2M48GC2M
Created by admin on Sat Dec 16 19:17:50 GMT 2023 , Edited by admin on Sat Dec 16 19:17:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE