Clazosentan SodiumProduct ingredient for Clazosentan
- Name
- Clazosentan Sodium
- Drug Entry
- Clazosentan
- Accession Number
- DBSALT002036
- Structure
Structure for Clazosentan Sodium (DBSALT002036)
- Synonyms
- Not Available
- UNII
- 0L77PK62L1
- CAS Number
- 503271-02-1
- Weight
- Average: 621.54
Monoisotopic: 621.11308917 - Chemical Formula
- C25H21N9Na2O6S
- InChI Key
- PZNSONUYVNYXJZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H21N9O6S.2Na/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23;;/h3-10,13-14,35H,11-12H2,1-2H3;;/q-2;2*+1
- IUPAC Name
- disodium 5-{4-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-6-{[(5-methylpyridin-2-yl)sulfonyl]azanidyl}pyrimidin-2-yl]pyridin-2-yl}-1H-1,2,3,4-tetrazol-1-ide
- SMILES
- [Na+].[Na+].COC1=CC=CC=C1OC1=C([N-]S(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=N[N-]1
- External Links
- ChemSpider
- 32697535
- Predicted Properties
Property Value Source Water Solubility 0.0959 mg/mL ALOGPS logP 2.17 ALOGPS logP 2.83 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.53 Chemaxon pKa (Strongest Basic) 2.11 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 194.41 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 168.89 m3·mol-1 Chemaxon Polarizability 55 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon