Bromhexine hydrochlorideProduct ingredient forBromhexine

Name
Bromhexine hydrochloride
Drug Entry
Bromhexine

Bromhexine is mucolytic agent used for a variety of respiratory conditions associated with increased mucus secretion. It is derived from the Adhatoda vasica plant and aids in the clearance of excess mucus, improving breathing and reducing cough. It was introduced into the market in 1963, and is widely available as an over-the-counter drug in many countries.1Recently, bromhexine and its metaboliteambroxolhave garnered interest for the potential prevention and treatment of COVID-19 due to their interactions with cell receptors in the lungs.5,6

Accession Number
DBSALT001092
Structure
Synonyms
Bromhexine HCl
UNII
YC2ZOM3Z8V
CAS Number
611-75-6
Weight
Average: 412.59
Monoisotopic: 409.976002
Chemical Formula
C14H21Br2ClN2
InChI Key
UCDKONUHZNTQPY-UHFFFAOYSA-N
InChI
InChI=1S/C14H20Br2N2.ClH/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17;/h7-8,12H,2-6,9,17H2,1H3;1H
IUPAC Name
2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride
SMILES
Cl.CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1
ChemSpider
4642584
ChEBI
31303
ChEMBL
CHEMBL1319139
Predicted Properties
Property Value Source
Water Solubility 0.00362 mg/mL ALOGPS
logP 4.08 ALOGPS
logP 4.42 Chemaxon
logS -5 ALOGPS
pKa (Strongest Acidic) 19.89 Chemaxon
pKa (Strongest Basic) 9.03 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 2 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 29.26 Å2 Chemaxon
Rotatable Bond Count 3 Chemaxon
Refractivity 85.56 m3·mol-1 Chemaxon
Polarizability 32.98 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule Yes Chemaxon
MDDR-like Rule No Chemaxon