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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 ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:51:10 UTC 2023
Edited
by admin
on Fri Dec 15 18:51:10 UTC 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 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023
PRIMARY
NSC
2106
Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023
PRIMARY
CAS
5341-49-1
Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023
PRIMARY
PUBCHEM
44777
Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023
PRIMARY
CAS
63814-07-3
Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023
SUPERSEDED
RS_ITEM_NUM
1398042
Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE