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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

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

Molecular Formula ClH
Molecular Weight 36.461
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 Fri Dec 15 18:51:10 GMT 2023
Edited
by admin
on Fri Dec 15 18:51:10 GMT 2023
Record UNII
O94Q4TV4F2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE HYDROCHLORIDE
Common Name English
NSC-2106
Code 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 Fri Dec 15 18:51:10 GMT 2023 , Edited by admin on Fri Dec 15 18:51:10 GMT 2023
PRIMARY
NSC
2106
Created by admin on Fri Dec 15 18:51:10 GMT 2023 , Edited by admin on Fri Dec 15 18:51:10 GMT 2023
PRIMARY
CAS
5341-49-1
Created by admin on Fri Dec 15 18:51:10 GMT 2023 , Edited by admin on Fri Dec 15 18:51:10 GMT 2023
PRIMARY
PUBCHEM
44777
Created by admin on Fri Dec 15 18:51:10 GMT 2023 , Edited by admin on Fri Dec 15 18:51:10 GMT 2023
PRIMARY
CAS
63814-07-3
Created by admin on Fri Dec 15 18:51:10 GMT 2023 , Edited by admin on Fri Dec 15 18:51:10 GMT 2023
SUPERSEDED
RS_ITEM_NUM
1398042
Created by admin on Fri Dec 15 18:51:10 GMT 2023 , Edited by admin on Fri Dec 15 18:51:10 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE