Ravidasvir hydrochlorideProduct ingredient for Ravidasvir
- Name
- Ravidasvir hydrochloride
- Drug Entry
- Ravidasvir
Ravidasvir is under investigation in clinical trial NCT02961426 (Sofosbuvir Plus Ravidasvir for the Treatment of HCV Chronic Infection).
- Accession Number
- DBSALT002948
- Structure
Structure for Ravidasvir hydrochloride (DBSALT002948)
- Synonyms
- Ravidasvir dihydrochloride / Ravidasvir HCl / Ravidasvir hydrochloride
- External IDs
- PPI-668
- UNII
- HWN7376681
- CAS Number
- 1303533-81-4
- Weight
- Average: 835.83
Monoisotopic: 834.3386868 - Chemical Formula
- C42H52Cl2N8O6
- InChI Key
- JYLMWUZJMRNMDA-SPRBZRACSA-N
- InChI
- InChI=1S/C42H50N8O6.2ClH/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6;;/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54);2*1H/t33-,34-,35-,36-;;/m0../s1
- IUPAC Name
- methyl N-[(2S)-1-[(2S)-2-[4-(6-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-1,3-benzodiazol-5-yl}naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride
- SMILES
- Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC(=CN1)C1=CC2=C(C=C1)C=C(C=C2)C1=CC2=C(NC(=N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1
- External Links
- ChemSpider
- 34448417
- ChEMBL
- CHEMBL3545312
- Predicted Properties
Property Value Source Water Solubility 0.00444 mg/mL ALOGPS logP 5.4 ALOGPS logP 5.47 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 11.34 Chemaxon pKa (Strongest Basic) 5.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 174.64 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 208.96 m3·mol-1 Chemaxon Polarizability 85.05 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon