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Details

Stereochemistry RACEMIC
Molecular Formula C21H27NO.BrH
Molecular Weight 390.357
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHADONE HYDROBROMIDE

SMILES

Br.CCC(=O)C(C(C)CN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=FDTSMJLKASTENG-UHFFFAOYSA-N
InChI=1S/C21H27NO.BrH/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

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H27NO
Molecular Weight 309.4452
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

ISOMETHADONE HYDROBROMIDE, DL- is a hydrobromide salt of isomethadone, a synthetic opioid analgesic. This is a controlled substance in the US.

Approval Year

PubMed

PubMed

TitleDatePubMed
Stereochemical basis for a unified structure activity theory of aromatic and heterocyclic rings in selected opioids and opioid peptides.
2010-02-18
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:32:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:32:57 GMT 2025
Record UNII
W8PU00YDDB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE HYDROBROMIDE
Common Name English
ISOMETHADONE DL-FORM HYDROBROMIDE [MI]
Preferred Name English
ISOMETHADONE HYDROBROMIDE, DL-
Common Name English
3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, HYDROBROMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
W8PU00YDDB
Created by admin on Mon Mar 31 22:32:57 GMT 2025 , Edited by admin on Mon Mar 31 22:32:57 GMT 2025
PRIMARY
CAS
63765-85-5
Created by admin on Mon Mar 31 22:32:57 GMT 2025 , Edited by admin on Mon Mar 31 22:32:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID10980304
Created by admin on Mon Mar 31 22:32:57 GMT 2025 , Edited by admin on Mon Mar 31 22:32:57 GMT 2025
PRIMARY
PUBCHEM
44683
Created by admin on Mon Mar 31 22:32:57 GMT 2025 , Edited by admin on Mon Mar 31 22:32:57 GMT 2025
PRIMARY
MERCK INDEX
m6500
Created by admin on Mon Mar 31 22:32:57 GMT 2025 , Edited by admin on Mon Mar 31 22:32:57 GMT 2025
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE