DESMETHYLMETHADONE

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 Search

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 `Sat Dec 16 13:59:11 UTC 2023` Edited by `admin` on `Sat Dec 16 13:59:11 UTC 2023`
Record UNII	LTG1R1T3K3
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 13:59:11 UTC 2023 , Edited by admin on Sat Dec 16 13:59:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID301276847

Created by admin on Sat Dec 16 13:59:11 UTC 2023 , Edited by admin on Sat Dec 16 13:59:11 UTC 2023

PRIMARY

CAS

111750-68-6

Created by admin on Sat Dec 16 13:59:11 UTC 2023 , Edited by admin on Sat Dec 16 13:59:11 UTC 2023

PRIMARY

PUBCHEM

20316586

Created by admin on Sat Dec 16 13:59:11 UTC 2023 , Edited by admin on Sat Dec 16 13:59:11 UTC 2023

PRIMARY

Related Record Type Details


					UC6VBE7V1Z

METHADONE

PARENT -> METABOLITE ACTIVE

Comments:

CYP dealkylateion forms this active metabolite.