(-)-methadone   Click here for help

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.
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2D Structure
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Physico-chemical Properties
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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
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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 Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6R)-6-dimethylamino-4,4-di(phenyl)heptan-3-one
International Nonproprietary Names Click here for help
INN number INN
5002 levomethadone
788 methadone
Synonyms Click here for help
(R)-methadone | l-methadone | levomethadone
Database Links Click here for help
CAS Registry No. 125-58-6 (source: Scifinder)
ChEMBL Ligand CHEMBL159659
DrugBank Ligand DB00333
DrugCentral Ligand 4586
GtoPdb PubChem SID 135650582
PubChem CID 22267
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Search PubMed clinical trials methadone
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Wikipedia Methadone