CONIVAPTAN HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 75L57R6X36
EPA CompTox DTXSID70168585
Parent Compound: CONIVAPTAN

Structure

InChI Key BTYHAFSDANBVMJ-UHFFFAOYSA-N
Smiles Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2.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

Mechanism of Action Action Reference
Vasopressin V1a receptor antagonist ANTAGONIST FDA

Target Conservation

Protein: Vasopressin V2 receptor
Description: Vasopressin V2 receptor
Organism : Homo sapiens
P30518 ENSG00000126895
Protein: Vasopressin V1a receptor
Description: Vasopressin V1a receptor
Organism : Homo sapiens
P37288 ENSG00000166148

Cross References

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