Conivaptan hydrochlorideProduct ingredient for Conivaptan
- Name
- Conivaptan hydrochloride
- Drug Entry
- Conivaptan
Conivaptan is a non-peptide inhibitor of antidiuretic hormone (vasopressin). It was approved in 2004 for hyponatremia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH). Conivaptan inhibits both isotypes of the vasopressin receptor (V1a and V2).
- Accession Number
- DBSALT000793
- Structure
Structure for Conivaptan hydrochloride (DBSALT000793)
- Synonyms
- Conivaptan HCl
- UNII
- 75L57R6X36
- CAS Number
- 168626-94-6
- Weight
- Average: 535.035
Monoisotopic: 534.182253835 - Chemical Formula
- C32H27ClN4O2
- InChI Key
- BTYHAFSDANBVMJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H
- IUPAC Name
- N-(4-{4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl}phenyl)-[1,1'-biphenyl]-2-carboxamide hydrochloride
- SMILES
- Cl.CC1=NC2=C(N1)C1=CC=CC=C1N(CC2)C(=O)C1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=CC=C2)C=C1
- External Links
- PubChem Compound
- 216322
- ChemSpider
- 187511
- ChEBI
- 31430
- ChEMBL
- CHEMBL1201108
- Wikipedia
- Conivaptan
- Predicted Properties
Property Value Source Water Solubility 0.00176 mg/mL ALOGPS logP 5.24 ALOGPS logP 5.31 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 12.26 Chemaxon pKa (Strongest Basic) 6.56 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 78.09 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 150.52 m3·mol-1 Chemaxon Polarizability 56.1 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon