Metabolite norcodeine

Name
norcodeine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
32W9P3T4ML
CAS number
Not Available
Weight
Average: 285.3377
Monoisotopic: 285.136493479
Chemical Formula
C17H19NO3
InChI Key
HKOIXWVRNLGFOR-KUYPYUECSA-N
InChI
InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12+,16+,17+/m1/s1
IUPAC Name
(1S,5R,13R,14S)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),15-tetraen-14-ol
SMILES
COC1=CC=C2C[C@H]3NCC[C@@]45[C@@H](OC1=C24)[C@@H](O)C=CC35
Reactions
External Links
ChemSpider
23214008
Wikipedia
Norcodeine
Predicted Properties
PropertyValueSource
Water Solubility0.379 mg/mLALOGPS
logP0.99ALOGPS
logP0.96ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)13.78ChemAxon
pKa (Strongest Basic)10.07ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area50.72 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity79.31 m3·mol-1ChemAxon
Polarizability29.86 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon