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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28ClN3O4.ClH
Molecular Weight 470.389
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IZILENDUSTAT HYDROCHLORIDE

SMILES

Cl.CC(C)(C)OC(=O)N1CCN(CC2=C(O)C(=O)N(CC3=CC=C(Cl)C=C3)C=C2)CC1

InChI

InChIKey=ZDGXMSCMXBTSPU-UHFFFAOYSA-N
InChI=1S/C22H28ClN3O4.ClH/c1-22(2,3)30-21(29)25-12-10-24(11-13-25)15-17-8-9-26(20(28)19(17)27)14-16-4-6-18(23)7-5-16;/h4-9,27H,10-15H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H28ClN3O4
Molecular Weight 433.928
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 14:45:57 GMT 2023
Edited
by admin
on Sat Dec 16 14:45:57 GMT 2023
Record UNII
WBQ36T8XFJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IZILENDUSTAT HYDROCHLORIDE
Common Name English
1-PIPERAZINECARBOXYLIC ACID, 4-((1-((4-CHLOROPHENYL)METHYL)-1,2-DIHYDRO-3-HYDROXY-2-OXO-4-PYRIDINYL)METHYL)-, 1,1-DIMETHYLETHYL ESTER, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
WBQ36T8XFJ
Created by admin on Sat Dec 16 14:45:57 GMT 2023 , Edited by admin on Sat Dec 16 14:45:57 GMT 2023
PRIMARY
PUBCHEM
162623577
Created by admin on Sat Dec 16 14:45:57 GMT 2023 , Edited by admin on Sat Dec 16 14:45:57 GMT 2023
PRIMARY
CAS
1303513-80-5
Created by admin on Sat Dec 16 14:45:57 GMT 2023 , Edited by admin on Sat Dec 16 14:45:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE