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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO.ClH
Molecular Weight 345.906
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ZLZWUOKDFLNZFV-LMOVPXPDSA-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/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:49 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:49 GMT 2023
Record UNII
DG4WT8S43T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHADONE HYDROBROMIDE, (R)-
Common Name English
ISOMETHADONE D-FORM HYDROCHLORIDE [MI]
Common Name English
ISOMETHADONE HYDROCHLORIDE, (5R)-
Common Name English
ISOMETHADONE HYDROCHLORIDE, D-
Common Name English
3-HEXANONE, 6-(DIMETHYLAMINO)-5-METHYL-4,4-DIPHENYL-, HYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
CAS
63814-06-2
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
PUBCHEM
20055405
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID60980379
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
MERCK INDEX
m6500
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY Merck Index
FDA UNII
DG4WT8S43T
Created by admin on Sat Dec 16 18:34:49 GMT 2023 , Edited by admin on Sat Dec 16 18:34:49 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS