Nevirapine hemihydrateProduct ingredient for Nevirapine
- Name
- Nevirapine hemihydrate
- Drug Entry
- Nevirapine
A potent, non-nucleoside reverse transcriptase inhibitor (NNRTI) used in combination with nucleoside analogues for treatment of Human Immunodeficiency Virus Type 1 (HIV-1) infection and AIDS. Structurally, nevirapine belongs to the dipyridodiazepinone chemical class.
- Accession Number
- DBSALT002723
- Structure
Structure for Nevirapine hemihydrate (DBSALT002723)
- Synonyms
- Not Available
- UNII
- B7XF2TD73C
- CAS Number
- 220988-26-1
- Weight
- Average: 550.623
Monoisotopic: 550.244086858 - Chemical Formula
- C30H30N8O3
- InChI Key
- KMTLSXAXTLQBKJ-UHFFFAOYSA-N
- InChI
- InChI=1S/2C15H14N4O.H2O/c2*1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10;/h2*2-3,6-8,10H,4-5H2,1H3,(H,18,20);1H2
- IUPAC Name
- bis(2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one) hydrate
- SMILES
- O.[H]N1C2=C(C)C=CN=C2N(C2CC2)C2=C(C=CC=N2)C1=O.[H]N1C2=C(C)C=CN=C2N(C2CC2)C2=C(C=CC=N2)C1=O
- External Links
- ChemSpider
- 8134852
- Predicted Properties
Property Value Source Water Solubility 0.105 mg/mL ALOGPS logP 1.75 ALOGPS logP 2.49 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 14.98 Chemaxon pKa (Strongest Basic) 3.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.12 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 77.48 m3·mol-1 Chemaxon Polarizability 27.8 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon