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Details

Stereochemistry RACEMIC
Molecular Formula C21H27NO
Molecular Weight 309.4452
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHADONE

SMILES

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

InChI

InChIKey=IFKPLJWIEQBPGG-UHFFFAOYSA-N
InChI=1S/C21H27NO/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

HIDE SMILES / InChI
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 ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:56:55 UTC 2023
Edited
by admin
on Sat Dec 16 17:56:55 UTC 2023
Record UNII
12L95QD6KV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE
INN   MI   WHO-DD  
INN  
Official Name English
IDS-NI-001
Code English
3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-
Systematic Name English
ISOAMIDONE
Common Name English
ISOMETHADONE II
Common Name English
WIN-1783
Code English
6-DIMETHYLAMINO-5-METHYL-4,4-DIPHENYL-3-HEXANONE
Systematic Name English
LEVOMETHADONE HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
WIN 1783
Code English
ISADANONE
Common Name English
METHADONE HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Common Name English
ISOMETHADONE DL-FORM [MI]
Common Name English
ISOMETHADONE [MI]
Common Name English
isomethadone [INN]
Common Name English
Isomethadone [WHO-DD]
Common Name English
Classification Tree Code System Code
DEA NO. 9226
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
NCI_THESAURUS C67413
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
Code System Code Type Description
DRUG CENTRAL
1495
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
INN
4199
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
MERCK INDEX
m6500
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY Merck Index
CAS
1071551-19-3
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
SUPERSEDED
FDA UNII
12L95QD6KV
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
CAS
466-40-0
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
PUBCHEM
10072
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
SMS_ID
100000082831
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
NCI_THESAURUS
C76085
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID40861955
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
EVMPD
SUB08323MIG
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
WIKIPEDIA
ISOMETHADONE
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107418
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
CAS
116836-09-0
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
SUPERSEDED
MESH
C008191
Created by admin on Sat Dec 16 17:56:56 UTC 2023 , Edited by admin on Sat Dec 16 17:56:56 UTC 2023
PRIMARY
Related Record Type Details
Structure of ISOMETHADONE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)
Structure of ISOMETHADONE HYDROBROMIDE
SALT/SOLVATE -> PARENT
APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)
Related Record Type Details
Structure of LEVOMETHADONE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of METHADONE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
Related Record Type Details
Structure of ISOMETHADONE
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