Chlorpheniramine gluconateProduct ingredient for Chlorpheniramine

Name
Chlorpheniramine gluconate
Drug Entry
Chlorpheniramine

A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than promethazine.

Accession Number
DBSALT002229
Structure
Synonyms
Not Available
UNII
79YPK3BAIT
CAS Number
25387-68-2
Weight
Average: 470.95
Monoisotopic: 470.181979
Chemical Formula
C22H31ClN2O7
InChI Key
OCMSTKFGYJZBIY-IFWQJVLJSA-N
InChI
InChI=1S/C16H19ClN2.C6H12O7/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-9,11,15H,10,12H2,1-2H3;2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1
IUPAC Name
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; [3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
ChemSpider
104978
Predicted Properties
PropertyValueSource
Water Solubility0.0519 mg/mLALOGPS
logP3.74ALOGPS
logP3.58Chemaxon
logS-3.7ALOGPS
pKa (Strongest Basic)9.47Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area16.13 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity80.85 m3·mol-1Chemaxon
Polarizability30.83 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon