DIHYDROCODEINE

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Synonyms
Status
Molecule Category Free-form
ATC N02AA08
UNII N9I9HDB855
EPA CompTox DTXSID5022936

Structure

InChI Key RBOXVHNMENFORY-DNJOTXNNSA-N
Smiles COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341
InChI
InChI=1S/C18H23NO3/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/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO3
Molecular Weight 301.39
AlogP 1.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 4-51
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 4-51
Homo sapiens
- - - - 17-40
Rattus norvegicus
- - - - 40

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia

Cross References

Resources Reference
ChEBI 135276
ChEMBL CHEMBL1595
DrugBank DB01551
DrugCentral 886
FDA SRS N9I9HDB855
Guide to Pharmacology 7594
PubChem 5284543
SureChEMBL SCHEMBL24607
ZINC ZINC000004215736
CONTENTS