Levomethadone hydrochlorideProduct ingredient for Levomethadone

Name
Levomethadone hydrochloride
Drug Entry
Levomethadone
Accession Number
DBSALT003111
Structure
Synonyms
L-Methadone HCl / L-Methadone hydrochloride / Levomethadone HCl
External IDs
227-756-6
UNII
V57LC776C0
CAS Number
5967-73-7
Weight
Average: 345.91
Monoisotopic: 345.1859422
Chemical Formula
C21H28ClNO
InChI Key
FJQXCDYVZAHXNS-UNTBIKODSA-N
InChI
InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H/t17-;/m1./s1
IUPAC Name
(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride
SMILES
Cl.CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
20903
Predicted Properties
PropertyValueSource
Water Solubility0.0059 mg/mLALOGPS
logP4.14ALOGPS
logP5.01Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)19.79Chemaxon
pKa (Strongest Basic)9.12Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area20.31 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity97.27 m3·mol-1Chemaxon
Polarizability36.06 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon