ISOMETHADONE HYDROCHLORIDE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H27NO.ClH
Molecular Weight	345.906
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOMETHADONE HYDROCHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=ZLZWUOKDFLNZFV-UHFFFAOYSA-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

HIDE SMILES / InChI

Description
Sources: https://www.drugfuture.com/chemdata/isomethadone.html | https://www.deadiversion.usdoj.gov/fed_regs/quotas/2014/fr0825.htm

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

Title	Date	PubMed
Stereochemical basis for a unified structure activity theory of aromatic and heterocyclic rings in selected opioids and opioid peptides.	2010-02-18	20212915

Patents

Patents

Name

Type

Language

ISOMETHADONE HYDROCHLORIDE

Common Name

English

NSC-2106

Preferred Name

English

3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

O94Q4TV4F2

Created by admin on Mon Mar 31 19:22:38 GMT 2025 , Edited by admin on Mon Mar 31 19:22:38 GMT 2025

PRIMARY

NSC

2106

Created by admin on Mon Mar 31 19:22:38 GMT 2025 , Edited by admin on Mon Mar 31 19:22:38 GMT 2025

PRIMARY

CAS

5341-49-1

Created by admin on Mon Mar 31 19:22:38 GMT 2025 , Edited by admin on Mon Mar 31 19:22:38 GMT 2025

PRIMARY

PUBCHEM

44777

Created by admin on Mon Mar 31 19:22:38 GMT 2025 , Edited by admin on Mon Mar 31 19:22:38 GMT 2025

PRIMARY

CAS

63814-07-3

Created by admin on Mon Mar 31 19:22:38 GMT 2025 , Edited by admin on Mon Mar 31 19:22:38 GMT 2025

SUPERSEDED

RS_ITEM_NUM

1398042

Created by admin on Mon Mar 31 19:22:38 GMT 2025 , Edited by admin on Mon Mar 31 19:22:38 GMT 2025

PRIMARY

PARENT (SALT/SOLVATE)


					12L95QD6KV

SUBSTANCE RECORD


					O94Q4TV4F2

ISOMETHADONE HYDROCHLORIDE