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
Thumb
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[8.4.0.0²,⁶]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl}phenyl)-2-phenylbenzamide 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
Predicted Properties
PropertyValueSource
Water Solubility0.00176 mg/mLALOGPS
logP5.24ALOGPS
logP5.31ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)11.11ChemAxon
pKa (Strongest Basic)6.56ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area78.09 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity150.52 m3·mol-1ChemAxon
Polarizability56.1 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon