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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32N2O3.ClH
Molecular Weight 396.951
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISTAROXIME HYDROCHLORIDE, (Z)-

SMILES

Cl.C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C\C(CC[C@]34C)=N/OCCN)[C@@H]1CCC2=O

InChI

InChIKey=AXHJYJDJXNOGNI-IBLOMREBSA-N
InChI=1S/C21H32N2O3.ClH/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20;/h14-17H,3-12,22H2,1-2H3;1H/b23-13-;/t14-,15-,16-,17+,20+,21-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C21H32N2O3
Molecular Weight 360.4904
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:02:27 GMT 2025
Edited
by admin
on Wed Apr 02 06:02:27 GMT 2025
Record UNII
PT57B9Z05I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISTAROXIME HYDROCHLORIDE, (Z)-
Common Name English
ANDROSTANE-3,6,17-TRIONE, 3-(O-(2-AMINOETHYL)OXIME) HYDROCHLORIDE, (3Z,5.ALPHA.)-
Preferred Name English
Code System Code Type Description
FDA UNII
PT57B9Z05I
Created by admin on Wed Apr 02 06:02:27 GMT 2025 , Edited by admin on Wed Apr 02 06:02:27 GMT 2025
PRIMARY
PUBCHEM
132274041
Created by admin on Wed Apr 02 06:02:27 GMT 2025 , Edited by admin on Wed Apr 02 06:02:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE