Cariporide MesylateProduct ingredient for Cariporide
- Name
- Cariporide Mesylate
- Drug Entry
- Cariporide
- Accession Number
- DBSALT002017
- Structure
Structure for Cariporide Mesylate (DBSALT002017)
- Synonyms
- Not Available
- UNII
- 0543W2JFRZ
- CAS Number
- 159138-81-5
- Weight
- Average: 379.45
Monoisotopic: 379.087177756 - Chemical Formula
- C13H21N3O6S2
- InChI Key
- FNDLQABGYJQJPH-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H17N3O3S.CH4O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18;1-5(2,3)4/h4-7H,1-3H3,(H4,13,14,15,16);1H3,(H,2,3,4)
- IUPAC Name
- N-carbamimidoyl-3-methanesulfonyl-4-(propan-2-yl)benzene-1-carboximidic acid; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC(C)C1=C(C=C(C=C1)C(O)=NC(N)=N)S(C)(=O)=O
- External Links
- ChemSpider
- 154972
- ChEMBL
- CHEMBL462831
- Predicted Properties
Property Value Source Water Solubility 0.0834 mg/mL ALOGPS logP 1.1 ALOGPS logP -0.58 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.38 Chemaxon pKa (Strongest Basic) 15 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 116.6 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 84.69 m3·mol-1 Chemaxon Polarizability 29.15 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon