Pseudoephedrine hydrochlorideProduct ingredient for Pseudoephedrine

Name
Pseudoephedrine hydrochloride
Drug Entry
Pseudoephedrine

Pseudoephedrine is structurally related to ephedrine but exerts a weaker effect on the sympathetic nervous system.1,2 Both drugs naturally occur in in ephedra plant which have a history of use in traditional Eastern medicine and were first researched in the west in 1889.2 The decongestant effect of pseudoephedrine was described in dogs in 1927.2

Accession Number
DBSALT000149
Structure
Thumb
Synonyms
Pseudoephedrine HCl
UNII
6V9V2RYJ8N
CAS Number
345-78-8
Weight
Average: 201.693
Monoisotopic: 201.092041846
Chemical Formula
C10H16ClNO
InChI Key
BALXUFOVQVENIU-KXNXZCPBSA-N
InChI
InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
IUPAC Name
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
SMILES
Cl.CN[C@@H](C)[C@@H](O)C1=CC=CC=C1
External Links
PubChem Compound
9581
ChemSpider
9205
ChEBI
8604
ChEMBL
CHEMBL1200724
Wikipedia
Pseudoephedrine
Predicted Properties
PropertyValueSource
Water Solubility8.26 mg/mLALOGPS
logP1ALOGPS
logP1.32ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)13.89ChemAxon
pKa (Strongest Basic)9.52ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area32.26 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity49.69 m3·mol-1ChemAxon
Polarizability18.95 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon