Oxolamine phosphateProduct ingredient for Oxolamine

Name
Oxolamine phosphate
Drug Entry
Oxolamine

Oxolamine is not approved in the USA, it may be marketed elsewhere internationally as a cough suppressant 1. It is listed as a prescription drug in New Zealand legislation 2. Oxolamine is also approved in Taiwan for the treatment of respiratory tract inflamation 3.

Accession Number
DBSALT003004
Structure
Synonyms
1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-phenyl-, phosphate (1:1) / Oxolamine monophosphate / Oxolamine phosphate
UNII
DMG78UE3PU
CAS Number
131378-45-5
Weight
Average: 343.32
Monoisotopic: 343.129707818
Chemical Formula
C14H22N3O5P
InChI Key
PSCWWFOVTFSDGZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4)
IUPAC Name
diethyl[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amine; phosphoric acid
SMILES
OP(O)(O)=O.CCN(CC)CCC1=NC(=NO1)C1=CC=CC=C1
ChemSpider
15236
Predicted Properties
PropertyValueSource
Water Solubility0.277 mg/mLALOGPS
logP2.7ALOGPS
logP3.14Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)8.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area42.16 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity84.15 m3·mol-1Chemaxon
Polarizability28.62 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon