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Tolvaptan

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Name

Tolvaptan

EINECS
CAS No. 150683-30-0 Density 1.311 g/cm3
Solubility Melting Point 219-222°C
Formula C26H25ClN2O3 Boiling Point 594.4 °C at 760 mmHg
Molecular Weight 448.94 Flash Point 313.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 150683-30-0 (Tolvaptan) Hazard Symbols
Synonyms

7-Chloro-5-hydroxy-1-(2-methyl-4-(2-methylbenzoylamino)benzoyl)2,3,4,5-tetrahydro-1H-1-benzazepine;Benzamide, N-(4-((7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-3-methylphenyl)-2-methyl-;N-[4-[(5R)-7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide;

 

Tolvaptan Specification

1. Introduction of Tolvaptan

Tolvaptan, with the IUPAC Name of N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide, is one kind of white powder. This chemical belongs to the Classification Code which include Treatment of congestive heart failure and hyponatremia [vasopressin V2 receptor antagonist]; Vasopressin V2 Receptor Antagonist.

2. Properties of Tolvaptan

Tolvaptan has the following properties: (1)Freely Rotating Bonds: 4; (2)Polar Surface Area: 49.85; (3)Index of Refraction: 1.663; (4)Molar Refractivity: 126.96 cm3; (5)Molar Volume: 342.4 cm3; (6)Surface Tension: 59.7 dyne/cm; (7)Density: 1.311 g/cm3; (8)Flash Point: 313.3 °C; (9)Enthalpy of Vaporization: 93.18 kJ/mol; (10)Boiling Point: 594.4 °C at 760 mmHg; (11)Vapour Pressure: 5.64E-15 mmHg at 25°C.

3. Structure Descriptors of Tolvaptan

You could convert the following datas into the molecular structure:
(1).Smiles:c1cc(c(cc1)C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3c2ccc(c3)Cl)O)c(c1)C

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