Hydrocodone

Synonyms: Dihydrocodeinone, "Hydrocodon", "Hydrocone", "Hydroconum", "Codinovo", "Dicodid", "Multacodin", "Bekadid", "hidrocodona", "Idrocodone", "Hydrocodonum", "Hydrocodone polistirex", "4,5-alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one", "6-Oxo-3-methoxy-N-methyl-4,5-epoxymorphinan", "4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6-one"

Source: Hydrocodone is a semi-synthetic phenanthrene opiate derivative with analgesic and antitussive effects.

Identifiers:

IUPAC Name: (4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CAS Number: 125-29-1
PubChem ID: 5284569
InChiKey: LLPOLZWFYMWNKH-CMKMFDCUSA-N
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4

Structural Properties:

Molecular Formula: C₁₈H₂₁NO₃
Molecular Weight: 299,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 22

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure