Methadone

Systematic / IUPAC Name: 6-(Dimethylamino)-4,4-diphenyl-3-heptanone

ID: Reference1068

Other Names: Diaminon;
3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-;
6-(Dimethylamino)-4,4-diphenylheptan-3-one;
Dolophine;
Adanon ; more

Formula: C21H27NO

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Methadone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 422
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 2/22/2017 12:43:28 PM
View Mass Spec Data > >

Identificators

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
InChI Key USSIQXCVUWKGNF-UHFFFAOYSA-N
Canonical SMILES CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
CAS 297881
Splash
Other Names Diaminon;
3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-;
6-(Dimethylamino)-4,4-diphenylheptan-3-one;
Dolophine;
Adanon;
DL-Methadone;
Ketalgin;
Amidone;
Physeptone;
Dolophin;
Heptanon;
Phenadone;
Racemic methadone;
Algovetin;
Heptadone;
Methadon;
Sedo-rapide;
Amidon;
Metasedin;
Westadone;
Heptadon;
Adolan;
Methaquaione;
Polamidone;
Althose;
Methadone m;
Polamivet;
Symoron;
Tussol;
Levothyl

In Other Databases

PubChem 4095
ChEBI CHEBI:6807
DrugBank APRD00485
KEGG C07163; D08195
ChemSpider 3953
ChemIDPlus 000076993; 000297881; 005653805; 000125586
Wikipedia Methadone
ChEMBL CHEMBL651