BENZHYDROCODONE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII I894QAU7FJ

Structure

InChI Key VVCUIDHKAHHSAN-JJHQWJQCSA-N
Smiles COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341.Cl
InChI
InChI=1S/C25H25NO4.ClH/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26;/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3;1H/t17-,18-,23+,25+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26ClNO4
Molecular Weight 439.94
AlogP 3.72
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 48.0
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Opioid receptors; mu/kappa/delta agonist AGONIST FDA

Target Conservation

Protein: Opioid receptors; mu/kappa/delta
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Opioid receptors; mu/kappa/delta
Description: Delta-type opioid receptor
Organism : Homo sapiens
P41143 ENSG00000116329
Protein: Opioid receptors; mu/kappa/delta
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556

Cross References

Resources Reference
ChEMBL CHEMBL3137310
FDA SRS I894QAU7FJ
PubChem 72736244
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