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Chemical structure of Conivaptan HCl

GC12627

Conivaptan HCl

Also known as N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride

Conivaptan (hydrochloride) is a non-peptide antagonist of vasopressin receptor, with Ki values of 0·48 and 3·04 nM for rat liver V1A receptor and rat kidney V2 receptor respectively

ChemicalCAS168626-94-6MW535.04FormulaC32H26N4O2·HCl
CAS number
168626-94-6
Molecular weight
535.04
Formula
C32H26N4O2·HCl
Solubility
≥ 14·8mg/mL in DMSO
InChIKey
BTYHAFSDANBVMJ-UHFFFAOYSA-N
Catalogue number
GC12627
Brand
GLPBIO
Computed properties PubChem CID 216322 · TPSA 78.1 Ų · H-bond donors 3 · H-bond acceptors 3
TPSA
78.1 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
39

SMILES CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6.Cl

Computed descriptors from PubChem (CID 216322), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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