Doxapram hydrochlorideProduct ingredient for Doxapram

Name
Doxapram hydrochloride
Drug Entry
Doxapram

A central respiratory stimulant with a brief duration of action. (From Martindale, The Extra Pharmocopoeia, 30th ed, p1225)

Accession Number
DBSALT000643
Structure
Synonyms
Doxapram HCl
UNII
P5RU6UOQ5Y
CAS Number
7081-53-0
Weight
Average: 432.983
Monoisotopic: 432.217970639
Chemical Formula
C24H33ClN2O3
InChI Key
ZOMBFZRWMLIDPX-UHFFFAOYSA-N
InChI
InChI=1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2
IUPAC Name
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrate hydrochloride
SMILES
O.Cl.CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
PubChem Compound
64648
ChemSpider
58203
ChEBI
31520
ChEMBL
CHEMBL3989519
Wikipedia
Doxapram
Predicted Properties
PropertyValueSource
Water Solubility0.0343 mg/mLALOGPS
logP3.65ALOGPS
logP3.23Chemaxon
logS-4ALOGPS
pKa (Strongest Basic)7.23Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area32.78 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity112.85 m3·mol-1Chemaxon
Polarizability43.32 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon