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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 Feb 18
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:07 GMT 2023
Edited
by admin
on Sat Dec 16 09:11:07 GMT 2023
Record UNII
W8PU00YDDB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE HYDROBROMIDE
Common Name English
ISOMETHADONE HYDROBROMIDE, DL-
Common Name English
ISOMETHADONE DL-FORM HYDROBROMIDE [MI]
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 Sat Dec 16 09:11:07 GMT 2023 , Edited by admin on Sat Dec 16 09:11:07 GMT 2023
PRIMARY
CAS
63765-85-5
Created by admin on Sat Dec 16 09:11:07 GMT 2023 , Edited by admin on Sat Dec 16 09:11:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID10980304
Created by admin on Sat Dec 16 09:11:07 GMT 2023 , Edited by admin on Sat Dec 16 09:11:07 GMT 2023
PRIMARY
PUBCHEM
44683
Created by admin on Sat Dec 16 09:11:07 GMT 2023 , Edited by admin on Sat Dec 16 09:11:07 GMT 2023
PRIMARY
MERCK INDEX
m6500
Created by admin on Sat Dec 16 09:11:07 GMT 2023 , Edited by admin on Sat Dec 16 09:11:07 GMT 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE