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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO.ClH
Molecular Weight 345.906
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHADONE HYDROBROMIDE, (R)-

SMILES

Cl.CCC(=O)C([C@@H](C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=ZLZWUOKDFLNZFV-LMOVPXPDSA-N
InChI=1S/C21H27NO.ClH/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H/t17-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOMETHADONE D-FORM HYDROCHLORIDE [MI]
Preferred Name English
ISOMETHADONE HYDROBROMIDE, (R)-
Common Name English
ISOMETHADONE HYDROCHLORIDE, (5R)-
Common Name English
ISOMETHADONE HYDROCHLORIDE, D-
Common Name English
3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, HYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
CAS
63814-06-2
Created by admin on Wed Apr 02 11:36:52 GMT 2025 , Edited by admin on Wed Apr 02 11:36:52 GMT 2025
PRIMARY
PUBCHEM
20055405
Created by admin on Wed Apr 02 11:36:52 GMT 2025 , Edited by admin on Wed Apr 02 11:36:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID60980379
Created by admin on Wed Apr 02 11:36:52 GMT 2025 , Edited by admin on Wed Apr 02 11:36:52 GMT 2025
PRIMARY
MERCK INDEX
m6500
Created by admin on Wed Apr 02 11:36:52 GMT 2025 , Edited by admin on Wed Apr 02 11:36:52 GMT 2025
PRIMARY Merck Index
FDA UNII
DG4WT8S43T
Created by admin on Wed Apr 02 11:36:52 GMT 2025 , Edited by admin on Wed Apr 02 11:36:52 GMT 2025
PRIMARY