Clobutinol hydrochlorideProduct ingredient for Clobutinol

Show full entry for Clobutinol
Name
Clobutinol hydrochloride
Drug Entry
Clobutinol

Clobutinol is a cough suppressant that is withdrawn from the US and EU markets. Clobutinol may prolong the QT interval. In 2007, Clobutinol was determined to cause cardiac arrhythmia in some patients.

See full entry for Clobutinol
Accession Number
DBSALT002452
Structure
Similar Structures
Synonyms
Not Available
UNII
N2U6799DZQ
CAS Number
1215-83-4
Weight
Average: 292.24
Monoisotopic: 291.1156698
Chemical Formula
C14H23Cl2NO
InChI Key
ZMROYCGIWPNZNJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H22ClNO.ClH/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12;/h5-8,11,17H,9-10H2,1-4H3;1H
IUPAC Name
1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol hydrochloride
SMILES
Cl.CC(CN(C)C)C(C)(O)CC1=CC=C(Cl)C=C1
ChemSpider
83840
ChEBI
31416
ChEMBL
CHEMBL3183114
Predicted Properties
PropertyValueSource
Water Solubility0.535 mg/mLALOGPS
logP3.15ALOGPS
logP3Chemaxon
logS-2.7ALOGPS
pKa (Strongest Acidic)14.64Chemaxon
pKa (Strongest Basic)9.41Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity74.04 m3·mol-1Chemaxon
Polarizability28.85 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon