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Conivaptan hydrochloride

CAT: 0926-FC20552-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FC20552-01Size:50 mg
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CAS Number
168626-94-6
Synonyms
N-[4-[ (4,5-Dihydro-2-methylimidazo[4,5-d][1]benzazepin-6 (1H) -yl) carbonyl]phenyl]-[1,1'-biphenyl]-2-carboxamide hydrochloride; Vapriso l; YM 087
MDL Number
MFCD00945712
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
Molecular Formula
C32H27ClN4O2
Molecular Weight
535.04 g/mol
Controlled
No

Chemical Information

Conivaptan Hydrochloride

Conivaptan hydrochloride is the hydrochloride salt of conivaptan. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2, and is used for the treatment of hyponatraemia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH). It has a role as an aquaretic and a vasopressin receptor antagonist. It contains a conivaptan.

CAS Number168626-94-6
PubChem CID216322
IUPAC NameN-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride
Molecular FormulaC32H27ClN4O2
Molecular Weight535.0
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity820
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
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
InChIKey
BTYHAFSDANBVMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Conivaptan Hydrochloride
CAS: 168626-94-6
CID: 216322
Formula: C32H27ClN4O2
MW: 535.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight535.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass534.1822538
Monoisotopic Mass534.1822538
Topological Polar Surface Area78.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes