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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO.ClH.H2O
Molecular Weight 363.921
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHADONE HYDROCHLORIDE MONOHYDRATE, (5R)-

SMILES

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

InChI

InChIKey=MWHPFVZLAXQQSU-RMRYJAPISA-N
InChI=1S/C21H27NO.ClH.H2O/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;1H2/t17-;;/m0../s1

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 ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

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
9EBW668XCN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE HYDROCHLORIDE MONOHYDRATE, (5R)-
Common Name English
ISOMETHADONE D-FORM HYDROCHLORIDE MONOHYDRATE [MI]
Preferred Name English
(5R)-6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-HEXAN-3-ONE HYDRATE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
76960407
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
FDA UNII
9EBW668XCN
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
ANHYDROUS->SOLVATE