CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 413.8 |
|---|---|
| Melting Point | 232-235 |
| Solubility | <1 mg/mL |
| LogP | 5.14 |
| Dissociation Constants | 8.69 |
| Kovats Retention Index | 2370 2337 2370 2380 2330 2340 2380 2385 |
COMPUTED DESCRIPTORS
| Molecular Weight | 376.13 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 375.99727 g/mol |
| Monoisotopic Mass | 373.99932 g/mol |
| Topological Polar Surface Area | 29.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 256 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Bromhexine is a substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum). It has a role as a mucolytic. It is a substituted aniline, a tertiary amino compound and an organobromine compound. It is a conjugate base of a bromhexine(1+).