CONIVAPTAN HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2005)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 75L57R6X36
Parent Compound: CONIVAPTAN

Structure
InChI Key BTYHAFSDANBVMJ-UHFFFAOYSA-N
Smile Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H27ClN4O2
Molecular Weight 535.05
AlogP 6.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 78.09
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Vasopressin V1a receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyponatremia 3 D007010 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
45.83
Injury, poisoning and procedural complications
41.67
Respiratory, thoracic and mediastinal disorders
8.33
Metabolism and nutrition disorders
4.17

Cross References

Resources Reference
ChEBI 31430
ChEMBL CHEMBL1201108
EPA CompTox DTXSID70168585
FDA SRS 75L57R6X36
PubChem 216322
SureChEMBL SCHEMBL387232
ZINC ZINC12503187
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