U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C21H27NO.BrH
Molecular Weight 390.357
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHADONE HYDROBROMIDE

SMILES

Br.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=FSICAXDYXLRLRG-UHFFFAOYSA-N
InChI=1S/C21H27NO.BrH/c1-5-20(23)21(16-17(2)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 BrH
Molecular Weight 80.912
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 Sat Dec 16 11:15:58 UTC 2023
Edited
by admin
on Sat Dec 16 11:15:58 UTC 2023
Record UNII
8CJ41S2M6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHADONE HYDROBROMIDE
Common Name English
3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, HYDROBROMIDE
Systematic Name English
DL-METHADONE HYDROBROMIDE
Common Name English
Code System Code Type Description
PUBCHEM
135036
Created by admin on Sat Dec 16 11:15:58 UTC 2023 , Edited by admin on Sat Dec 16 11:15:58 UTC 2023
PRIMARY
CAS
70293-21-9
Created by admin on Sat Dec 16 11:15:58 UTC 2023 , Edited by admin on Sat Dec 16 11:15:58 UTC 2023
SUPERSEDED
FDA UNII
8CJ41S2M6U
Created by admin on Sat Dec 16 11:15:58 UTC 2023 , Edited by admin on Sat Dec 16 11:15:58 UTC 2023
PRIMARY
ECHA (EC/EINECS)
245-450-0
Created by admin on Sat Dec 16 11:15:58 UTC 2023 , Edited by admin on Sat Dec 16 11:15:58 UTC 2023
PRIMARY
CAS
23142-53-2
Created by admin on Sat Dec 16 11:15:58 UTC 2023 , Edited by admin on Sat Dec 16 11:15:58 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
PARENT -> SALT/SOLVATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE