Dapivirine hydrochlorideProduct ingredient for Dapivirine
- Name
- Dapivirine hydrochloride
- Drug Entry
- Dapivirine
Dapivirine has been investigated for the prevention of HIV-1 Infections and Topical Penile Exposures.
- Accession Number
- DBSALT002396
- Structure
Structure for Dapivirine hydrochloride (DBSALT002396)
- Synonyms
- Dapivirine HCl
- UNII
- 55D48BY90H
- CAS Number
- 244768-47-6
- Weight
- Average: 365.87
Monoisotopic: 365.1407234 - Chemical Formula
- C20H20ClN5
- InChI Key
- RHIYZDNOTUMYCA-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H19N5.ClH/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17;/h4-11H,1-3H3,(H2,22,23,24,25);1H
- IUPAC Name
- 4-({6-[(2,4,6-trimethylphenyl)imino]-1,6-dihydropyrimidin-2-yl}amino)benzonitrile hydrochloride
- SMILES
- Cl.CC1=CC(C)=C(N=C2NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1
- External Links
- ChemSpider
- 11399606
- Predicted Properties
Property Value Source Water Solubility 0.0258 mg/mL ALOGPS logP 3.72 ALOGPS logP 4.97 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 10.34 Chemaxon pKa (Strongest Basic) 7.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.57 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 104.07 m3·mol-1 Chemaxon Polarizability 37.39 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon