CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White to tan crystalline powder |
|---|---|
| Odor | Odorless |
| Melting Point | MP: 226-228 °C /Delavirdine/ |
| Solubility | In water: 2,942 mg/mL @ pH 1; 295 ug/mL @ pH 2; 0.81 ug/mL @ pH 7 |
| Vapor Pressure | VP: 2.6X10-15 mm Hg @ 25 °C /Estimated/ /Delavirdine/ |
| Henry's Law Constant | Henry's Law constant = 4.6X10-25 atm-cu m/mol @ 25 °C /Estimated/ /Delavirdine/ |
| Other Experimental Properties | log Kow = 2.34 @ 25 °C /Estimated/ /Delavirdine/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 552.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 552.18247511 g/mol |
| Monoisotopic Mass | 552.18247511 g/mol |
| Topological Polar Surface Area | 182 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 842 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Delavirdine mesylate is the monomethanesulfonic acid salt of delavirdine, a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It contains a delavirdine.