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 |
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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 |
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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.