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Details

Stereochemistry RACEMIC
Molecular Formula C20H25NO
Molecular Weight 295.4186
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLMETHADONE

SMILES

CCC(=O)C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=CXNCTGHWIPMHGB-UHFFFAOYSA-N
InChI=1S/C20H25NO/c1-4-19(22)20(15-16(2)21-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,21H,4,15H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H25NO
Molecular Weight 295.4186
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 Thu Jul 06 19:35:12 UTC 2023
Edited
by admin
on Thu Jul 06 19:35:12 UTC 2023
Record UNII
LTG1R1T3K3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLMETHADONE
Common Name English
3-HEPTANONE, 6-(METHYLAMINO)-4,4-DIPHENYL-
Systematic Name English
6-(METHYLAMINO)-4,4-DIPHENYL-HEPTAN-3-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
LTG1R1T3K3
Created by admin on Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID301276847
Created by admin on Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
CAS
111750-68-6
Created by admin on Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
PUBCHEM
20316586
Created by admin on Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
CYP dealkylateion forms this active metabolite.