Bromodiphenhydramine hydrochlorideProduct ingredient for Bromodiphenhydramine

Name
Bromodiphenhydramine hydrochloride
Drug Entry
Bromodiphenhydramine

Bromodiphenhydramine is an ethanolamine antihistamine with antimicrobial property. Bromodiphenhydramine is used in the control of cutaneous allergies. Ethanolamine antihistamines produce marked sedation in most patients.

Accession Number
DBSALT000791  (DBSALT001406)
Structure
Thumb
Synonyms
Bromazine HCl / Bromazine hydrochloride / Bromodiphenhydramine HCl
UNII
202J683U97
CAS Number
1808-12-4
Weight
Average: 370.712
Monoisotopic: 369.049504653
Chemical Formula
C17H21BrClNO
InChI Key
ZQDJSWUEGOYDGT-UHFFFAOYSA-N
InChI
InChI=1S/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H
IUPAC Name
{2-[(4-bromophenyl)(phenyl)methoxy]ethyl}dimethylamine hydrochloride
SMILES
Cl.CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1
PubChem Compound
15736
ChemSpider
14964
ChEBI
59178
ChEMBL
CHEMBL1200967
Wikipedia
Bromazine
Predicted Properties
PropertyValueSource
Water Solubility0.00345 mg/mLALOGPS
logP4.16ALOGPS
logP4.42ChemAxon
logS-5ALOGPS
pKa (Strongest Basic)8.87ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.47 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity87.55 m3·mol-1ChemAxon
Polarizability33.41 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon