Prenylamine lactateProduct ingredient for Prenylamine

Name
Prenylamine lactate
Drug Entry
Prenylamine

Prenylamine was withdrawn from the Canadian, US, and UK markets in 1988 due to concerns regarding cardiac arrhythmias.

Accession Number
DBSALT002856
Structure
Synonyms
N-(3,3-Diphenylpropyl)-alpha-methylphenethylamine lactate / Prenylamine lactate
UNII
6J3J6SXI7V
CAS Number
69-43-2
Weight
Average: 419.565
Monoisotopic: 419.246043927
Chemical Formula
C27H33NO3
InChI Key
QPOFIDVRLWJICD-UHFFFAOYSA-N
InChI
InChI=1S/C24H27N.C3H6O3/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-2(4)3(5)6/h2-16,20,24-25H,17-19H2,1H3;2,4H,1H3,(H,5,6)
IUPAC Name
(3,3-diphenylpropyl)(1-phenylpropan-2-yl)amine; 2-hydroxypropanoic acid
SMILES
CC(O)C(O)=O.CC(CC1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
59000
ChEMBL
CHEMBL1367944
Predicted Properties
PropertyValueSource
Water Solubility3.54e-05 mg/mLALOGPS
logP5.89ALOGPS
logP6.12Chemaxon
logS-7ALOGPS
pKa (Strongest Basic)10.48Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity107.09 m3·mol-1Chemaxon
Polarizability39.76 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon