MORPHINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII J28GE0ROVX
EPA CompTox DTXSID10110023
Parent Compound: MORPHINE

Structure

InChI Key XCKKIKBIPZJUET-VYKNHSEDSA-N
Smiles CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl
InChI
InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO3
Molecular Weight 321.8
AlogP 1.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

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
- 0.05-487 - 1.2-100 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 5.4-120 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - 1.2-100 64-100

Cross References

Resources Reference
ChEBI 55340
ChEMBL CHEMBL556578
FDA SRS J28GE0ROVX
PubChem 5464110
SureChEMBL SCHEMBL40902
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