Metabolite Nor-levomethadyl acetate (nor-LAAM)

Name
Nor-levomethadyl acetate (nor-LAAM)
HMDB ID
Not Available
Description
Not Available
Structure
Thumb
CAS number
Not Available
Weight
Average: 339.4712
Monoisotopic: 339.219829177
Chemical Formula
C22H29NO2
InChI Key
VWCUGCYZZGRKEE-UWJYYQICSA-N
InChI
InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3/t17-,21-/m0/s1
IUPAC Name
(3S,6S)-6-(methylamino)-4,4-diphenylheptan-3-yl acetate
SMILES
CC[[email protected]](OC(C)=O)C(C[[email protected]](C)NC)(C1=CC=CC=C1)C1=CC=CC=C1
Reactions
Predicted Properties
PropertyValueSource
Water Solubility0.000713 mg/mLALOGPS
logP4.85ALOGPS
logP4.5ChemAxon
logS-5.7ALOGPS
pKa (Strongest Basic)10.34ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area38.33 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity112.56 m3·mol-1ChemAxon
Polarizability38.7 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon