BENZHYDROCODONE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I894QAU7FJ

Structure
InChI Key VVCUIDHKAHHSAN-JJHQWJQCSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 48.0
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Pain 4 D059787 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137310
FDA SRS I894QAU7FJ
PubChem 72736244
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