Vaniprevir potassiumProduct ingredient for Vaniprevir
- Name
- Vaniprevir potassium
- Drug Entry
- Vaniprevir
Vaniprevir has been used in trials studying the treatment and diagnostic of Hepatitis C, Chronic Hepatitis C, Hepatitis C, Chronic, Chronic Hepatitis C Infection, and Chronic Genotype 1 Hepatitis C Virus Infection.
- Accession Number
- DBSALT002107
- Structure
Structure for Vaniprevir potassium (DBSALT002107)
- Synonyms
- Not Available
- UNII
- W0LRK0QD50
- CAS Number
- 1269195-08-5
- Weight
- Average: 796.03
Monoisotopic: 795.327931 - Chemical Formula
- C38H54KN5O9S
- InChI Key
- GCSROPQKMQJXBI-BHHZHGTGSA-M
- InChI
- InChI=1S/C38H55N5O9S.K/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26;/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H3,39,40,41,44,46,47);/q;+1/p-1/t25-,26-,29+,30-,38-;/m1./s1
- IUPAC Name
- potassium [(1R,2R)-1-[(1R,21S,24S)-21-tert-butyl-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1^{4,7}.0^{6,11}]heptacosa-6(11),7,9-triene-24-amido]-2-ethylcyclopropanecarbonyl](cyclopropanesulfonyl)azanide
- SMILES
- [K+].[H][C@]1(C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCC1=C3CN(CC3=CC=C1)C(=O)O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1CC)C(=O)[N-]S(=O)(=O)C1CC1
- External Links
- ChemSpider
- 32701350
- Predicted Properties
Property Value Source Water Solubility 0.0275 mg/mL ALOGPS logP 3.2 ALOGPS logP 4.15 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.77 Chemaxon pKa (Strongest Basic) -3.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 177.72 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 193.41 m3·mol-1 Chemaxon Polarizability 81.35 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon