(-)-methadone   

GtoPdb Ligand ID: 1605

Synonyms: (R)-methadone | l-methadone | levomethadone
Compound class: Synthetic organic
Comment: (-)-methadone is a component of the approved drug methadone, and while it has been assigned an INN, it is not itself an approved drug. See our ligand entry for methadone for futher details.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 309.21
XLogP 4.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C
Isomeric SMILES CCC(=O)C(c1ccccc1)(c1ccccc1)C[C@H](N(C)C)C
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/t17-/m1/s1
InChI Key USSIQXCVUWKGNF-QGZVFWFLSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(6R)-6-dimethylamino-4,4-di(phenyl)heptan-3-one
International Nonproprietary Names
INN number INN
5002 levomethadone
788 methadone
Synonyms
(R)-methadone | l-methadone | levomethadone
Database Links
CAS Registry No. 125-58-6 (source: Scifinder)
ChEMBL Ligand CHEMBL159659
DrugBank Ligand DB00333
DrugCentral Ligand 4586
GtoPdb PubChem SID 135650582
PubChem CID 22267
Search Google for chemical match using the InChIKey USSIQXCVUWKGNF-QGZVFWFLSA-N
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Search PubMed clinical trials methadone
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Search UniChem for chemical match using the InChIKey USSIQXCVUWKGNF-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone USSIQXCVUWKGNF
Wikipedia Methadone