6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309)

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ChEBI Name	6-(dimethylamino)-4,4-diphenylheptan-3-one

ChEBI ID	CHEBI:167309

Definition	A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C21H27NO

Net Charge

Average Mass

309.453

Monoisotopic Mass

309.20926

InChI

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

InChIKey

USSIQXCVUWKGNF-UHFFFAOYSA-N

SMILES

CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Br o nsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) has functional parent heptan-3-one (CHEBI:50139) 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a benzenes (CHEBI:22712) 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a diarylmethane (CHEBI:51614) 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a ketone (CHEBI:17087) 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a tertiary amino compound (CHEBI:50996)

Incoming	dextromethadone (CHEBI:167308) is a 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) levomethadone (CHEBI:136003) is a 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309)

IUPAC Name

6-(dimethylamino)-4,4-diphenylheptan-3-one

Synonym	Source
6-(dimethylamino)-4,4-diphenyl-3-heptanone	ChEBI

Last Modified

22 January 2021

General Comment
2021-01-22	This is the entry for material with unspecified stereochemstry. There are separate entries for the racemate (methadone) and its individual enantiomers, dextromethadone and levomethadone.