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Details

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

SHOW SMILES / InChI
Structure of ESMETHADONE

SMILES

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

InChI

InChIKey=USSIQXCVUWKGNF-KRWDZBQOSA-N
InChI=1S/C21H27NO/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/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

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:28:40 GMT 2025
Edited
by admin
on Mon Mar 31 22:28:40 GMT 2025
Record UNII
S95RZH8AMH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESMETHADONE
USAN  
Official Name English
REL-1017
Preferred Name English
METHADONE, (+)-
Common Name English
S-METHADONE
Common Name English
(S)-(+)-METHADONE
Common Name English
(6S)-6-(DIMETHYLAMINO)-4,4-DIPHENYL-3-HEPTANONE
Systematic Name English
DEXTROMETHADONE [EP IMPURITY]
Common Name English
L-(+)-METHADONE
Common Name English
ESMETHADONE [USAN]
Common Name English
esmethadone [INN]
Common Name English
(+)-METHADONE
Common Name English
D-METHADONE
Common Name English
(+)-(6S)-METHADONE
Common Name English
(6S)-6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTAN-3-ONE
Systematic Name English
DEXTROMETHADONE
Common Name English
3-HEPTANONE, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, (6S)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 499915
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
Code System Code Type Description
INN
11978
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
SMS_ID
300000039966
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
CHEBI
167308
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
PUBCHEM
643985
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
DRUG BANK
DB15198
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
WIKIPEDIA
Dextromethadone
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
CAS
5653-80-5
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID501045751
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
USAN
JK-11
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
FDA UNII
S95RZH8AMH
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
NCI_THESAURUS
C186411
Created by admin on Mon Mar 31 22:28:40 GMT 2025 , Edited by admin on Mon Mar 31 22:28:40 GMT 2025
PRIMARY
Related Record Type Details
Structure of ESMETHADONE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of LEVOMETHADONE
ENANTIOMER -> ENANTIOMER
NMDA RECEPTOR
TARGET -> INHIBITOR
Structure of METHADONE HYDROBROMIDE, (S)-
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of LEVOMETHADONE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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