129618-40-2
Product Name:
Nevirapine
Formula:
C15H14N4O
Synonyms:
11-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one;Nevirapine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from pyridine and water |
| Melting Point | 196.06 |
| Solubility | >39.9 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 3.4X10-9 mm Hg @ 25 °C /Estimated/ |
| LogP | 2.5 |
| Henry's Law Constant | Henry's Law constant = 3.3X10-17 atm-cu m/mol @ 25 °C /Estimated/ |
| Caco2 Permeability | -4.52 |
| Dissociation Constants | pKa = 2.8 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 6.4X10-11 cu cm/molec-sec @ 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 266.30 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 266.11676108 g/mol |
| Monoisotopic Mass | 266.11676108 g/mol |
| Topological Polar Surface Area | 58.1 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 397 |
| 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
Nevirapine is a dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It is a dipyridodiazepine and a member of cyclopropanes.