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Conivaptan

CAT: 0926-FC159956-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FC159956-02Size:50 mg
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CAS Number
210101-16-9
MDL Number
MFCD09838361
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
Molecular Formula
C32H26N4O2
Molecular Weight
498.58 g/mol
Controlled
No

Chemical Information

Conivaptan

Conivaptan is the amide resulting from the formal condensation of 4-[(biphenyl-2-ylcarbonyl)amino]benzoic acid with the benzazepine nitrogen of 2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine. It is an antagonist for two of the three types of arginine vasopressin (AVP) receptors, V1a and V2. It is used as its hydrochloride salt 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.

CAS Number210101-16-9
PubChem CID151171
IUPAC NameN-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide
Molecular FormulaC32H26N4O2
Molecular Weight498.6
XLogP5.7
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count38
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
InChI
InChI=1S/C32H26N4O2/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)
InChIKey
IKENVDNFQMCRTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Conivaptan
CAS: 210101-16-9
CID: 151171
Formula: C32H26N4O2
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass498.20557608
Monoisotopic Mass498.20557608
Topological Polar Surface Area78.1 Ų
Heavy Atom Count38
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T21378-01Conivaptan
HY-129511Conivaptan-d4
MBS3602574-01Conivaptan hydrochloride
OR1023871Conivaptan HCl
HY-18347A-01Conivaptan (hydrochloride)

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