Brompheniramine maleateProduct ingredient for Brompheniramine

Name
Brompheniramine maleate
Drug Entry
Brompheniramine

Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.

Accession Number
DBSALT000940
Structure
Synonyms
1-(p-bromophenyl)-1-(2-pyridyl)-3-dimethylaminopropane maleate / 2-(p-bromo-α-(2-dimethylaminoethyl)benzyl)pyridine maleate / 3-(4-bromophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine maleate / 3-(4-bromophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine maleate / 3-(p-bromophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine maleate
UNII
IXA7C9ZN03
CAS Number
980-71-2
Weight
Average: 435.318
Monoisotopic: 434.08412
Chemical Formula
C20H23BrN2O4
InChI Key
SRGKFVAASLQVBO-BTJKTKAUSA-N
InChI
InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
IUPAC Name
(2Z)-but-2-enedioic acid; [3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1
KEGG Drug
D00663
PubChem Compound
5281067
ChemSpider
4444524
ChEBI
3184
ChEMBL
CHEMBL1200961
Wikipedia
Brompheniramine
Predicted Properties
PropertyValueSource
Water Solubility0.0127 mg/mLALOGPS
logP3.63ALOGPS
logP3.75Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)9.48Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area16.13 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity83.67 m3·mol-1Chemaxon
Polarizability32.07 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon