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

Details

Stereochemistry RACEMIC
Molecular Formula C22H27NO4.ClH
Molecular Weight 405.915
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISALMADOL HYDROCHLORIDE

SMILES

Cl.CN(C)C[C@H]1CCCC[C@]1(O)C2=CC(OC(=O)C3=CC=CC=C3O)=CC=C2

InChI

InChIKey=HSCWGAUDRWJNME-YITVUBHWSA-N
InChI=1S/C22H27NO4.ClH/c1-23(2)15-17-8-5-6-13-22(17,26)16-9-7-10-18(14-16)27-21(25)19-11-3-4-12-20(19)24;/h3-4,7,9-12,14,17,24,26H,5-6,8,13,15H2,1-2H3;1H/t17-,22+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISALMADOL HYDROCHLORIDE
Common Name English
ISALMADOL HCL
Common Name English
Code System Code Type Description
PUBCHEM
76966629
Created by admin on Fri Dec 15 15:57:14 UTC 2023 , Edited by admin on Fri Dec 15 15:57:14 UTC 2023
PRIMARY
FDA UNII
RPO5VCH456
Created by admin on Fri Dec 15 15:57:14 UTC 2023 , Edited by admin on Fri Dec 15 15:57:14 UTC 2023
PRIMARY