dihydrocodeine   Click here for help

GtoPdb Ligand ID: 7594

Synonyms: DF-118 | Dicogesic® | dihydrocodeine bitartrate | Drocode | Paracodeine®
Approved drug
dihydrocodeine is an approved drug (FDA (1958, as bitartrate with aspirin and caffeine))
Compound class: Synthetic organic
Comment: Dihydrocodeine is a semi-synthetic opioid analgesic.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: dihydrocodeine

2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 41.93
Molecular weight 301.17
XLogP 1.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

✖
Canonical SMILES COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1O)C
Isomeric SMILES COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C
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
InChI Key RBOXVHNMENFORY-DNJOTXNNSA-N

For advanced searching click here to open chemical structure editor

Similar Ligands Click here for help
[3H]diprenorphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
dihydromorphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
diprenorphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
etorphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
morphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
nalmefene
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
nalorphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
normorphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
β-FNA
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
BNTX
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
naloxone
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
naltrexone
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
nalfurafine
Click here for ligand page
Targets
κ receptor
nalbuphine
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
naloxone benzoylhydrazone
Click here for ligand page
Targets
κ receptor; μ receptor
(+)-naloxone
Click here for ligand page
Targets
κ receptor
buprenorphine
Click here for ligand page
Targets
κ receptor; μ receptor
codeine
Click here for ligand page
Targets
μ receptor; CYP3A4
[3H]naloxone
Click here for ligand page
Targets
μ receptor
naloxonazine
Click here for ligand page
Targets
μ receptor
hydrocodone
Click here for ligand page
Targets
κ receptor; μ receptor
hydromorphone
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
oxycodone
Click here for ligand page
oxymorphone
Click here for ligand page
naloxegol
Click here for ligand page
methylnaltrexone
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
diamorphine
Click here for ligand page
pholcodine
Click here for ligand page
BU08028
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor; NOP receptor
BU72
Click here for ligand page
Targets
μ receptor
MP1104
Click here for ligand page
Targets
κ receptor
NFP
Click here for ligand page
Targets
δ receptor; κ receptor; μ receptor
oxycodegol
Click here for ligand page
Targets
δ receptor; μ receptor
SRI22141
Click here for ligand page
Targets
δ receptor; μ receptor