hydrocodone   Click here for help

GtoPdb Ligand ID: 7081

Synonyms: Zohydro®
Approved drug
hydrocodone is an approved drug (FDA (no approval history prior to 2013))
Comment: Hydrocodone is an opioid receptor agonist.
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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 1
Topological polar surface area 38.77
Molecular weight 299.15
XLogP 0.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1=O)C
Isomeric SMILES COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CCC1=O)C
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChI Key LLPOLZWFYMWNKH-CMKMFDCUSA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (FDA (no approval history prior to 2013))
IUPAC Name Click here for help
(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
International Nonproprietary Names Click here for help
INN number INN
1700 hydrocodone
Synonyms Click here for help
Zohydro®
Database Links Click here for help
CAS Registry No. 125-29-1
ChEBI CHEBI:5779
ChEMBL Ligand CHEMBL1457
DrugBank Ligand DB00956
DrugCentral Ligand 1386
GtoPdb PubChem SID 178103660
PubChem CID 5284569
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Wikipedia Hydrocodone