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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO
Molecular Weight 309.4452
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=IFKPLJWIEQBPGG-KRWDZBQOSA-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/t17-/m0/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:39 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:39 GMT 2025
Record UNII
THB9T1JZ6C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE, (R)-
Common Name English
(5R)-ISOMETHADONE
Preferred Name English
ISOMETHADONE, (5R)-
Common Name English
ISOMETHADONE D-FORM [MI]
Common Name English
ISOMETHADONE, D-
Common Name English
3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, (R)-
Systematic Name English
Code System Code Type Description
CAS
26594-41-2
Created by admin on Mon Mar 31 23:29:39 GMT 2025 , Edited by admin on Mon Mar 31 23:29:39 GMT 2025
PRIMARY
FDA UNII
THB9T1JZ6C
Created by admin on Mon Mar 31 23:29:39 GMT 2025 , Edited by admin on Mon Mar 31 23:29:39 GMT 2025
PRIMARY
PUBCHEM
12358631
Created by admin on Mon Mar 31 23:29:39 GMT 2025 , Edited by admin on Mon Mar 31 23:29:39 GMT 2025
PRIMARY
MERCK INDEX
m6500
Created by admin on Mon Mar 31 23:29:39 GMT 2025 , Edited by admin on Mon Mar 31 23:29:39 GMT 2025
PRIMARY Merck Index