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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16F3N5O.C2H4O2
Molecular Weight 375.3462
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Lixumistat acetate

SMILES

CC(O)=O.FC(F)(F)OC1=CC=C(NC(=N)NC(=N)N2CCCC2)C=C1

InChI

InChIKey=AGFDCTOLSXWRDZ-UHFFFAOYSA-N
InChI=1S/C13H16F3N5O.C2H4O2/c14-13(15,16)22-10-5-3-9(4-6-10)19-11(17)20-12(18)21-7-1-2-8-21;1-2(3)4/h3-6H,1-2,7-8H2,(H4,17,18,19,20);1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C13H16F3N5O
Molecular Weight 315.2942
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H4O2
Molecular Weight 60.052
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 17:16:28 GMT 2023
Edited
by admin
on Sat Dec 16 17:16:28 GMT 2023
Record UNII
8MS59W493C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Lixumistat acetate
Common Name English
N-(IMINO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)-1-PYRROLIDINECARBOXIMIDAMIDE, ACETATE
Systematic Name English
HL271 ACETATE
Code English
1-Pyrrolidinecarboximidamide, N-[imino[[4-(trifluoromethoxy)phenyl]amino]methyl]-, acetate (1:1)
Systematic Name English
IM-156
Code English
IM156
Code English
HL156A
Code English
HL-156A
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 889822
Created by admin on Sat Dec 16 17:16:28 GMT 2023 , Edited by admin on Sat Dec 16 17:16:28 GMT 2023
FDA ORPHAN DRUG 796920
Created by admin on Sat Dec 16 17:16:28 GMT 2023 , Edited by admin on Sat Dec 16 17:16:28 GMT 2023
Code System Code Type Description
CAS
1422365-94-3
Created by admin on Sat Dec 16 17:16:28 GMT 2023 , Edited by admin on Sat Dec 16 17:16:28 GMT 2023
PRIMARY
NCI_THESAURUS
C153372
Created by admin on Sat Dec 16 17:16:28 GMT 2023 , Edited by admin on Sat Dec 16 17:16:28 GMT 2023
PRIMARY
FDA UNII
8MS59W493C
Created by admin on Sat Dec 16 17:16:28 GMT 2023 , Edited by admin on Sat Dec 16 17:16:28 GMT 2023
PRIMARY
PUBCHEM
154573779
Created by admin on Sat Dec 16 17:16:28 GMT 2023 , Edited by admin on Sat Dec 16 17:16:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY