loading...| Preferred Name |
methadone |
| Synonyms |
6-(dimethylamino)-4,4-diphenylheptan-3-one dl-Methadone methadone (+-)-methadone 6-Dimethylamino-4,4-diphenyl-3-heptanone methadonum |
| Definitions |
A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_6807 |
| charge |
0 |
| database_cross_reference |
KEGG:D08195 Wikipedia:Methadone PMID:24157336 HMDB:HMDB0014477 Drug_Central:1728 PMID:24117196 Reaxys:2221454 CAS:76-99-3 DrugBank:DB00333 KEGG:C07163 PMID:24489693 Beilstein:3213669 |
| definition |
A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. |
| formula |
C21H27NO |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_55322 |
| has_exact_synonym |
6-(dimethylamino)-4,4-diphenylheptan-3-one |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
dl-Methadone methadone (+-)-methadone 6-Dimethylamino-4,4-diphenyl-3-heptanone methadonum |
| id |
CHEBI:6807 |
| in_subset | |
| 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 |
| label |
methadone |
| mass |
309.44520 |
| monoisotopicmass |
309.209 |
| notation |
CHEBI:6807 |
| prefLabel |
methadone |
| smiles |
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_17087 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_17087 |