Basic information
- Name:
Tolvaptan
- CAS No.:
150683-30-0
- Molecular Structure:
- Formula:
- C26H25ClN2O3
- Molecular Weight:
- 448.94
- 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;
- Density:
- 1.311 g/cm3
- Boiling Point:
- 594.4 °C at 760 mmHg
- Flash Point:
- 313.3 °C
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Chemistry
Molecular Structure of Tolvaptan (CAS NO.150683-30-0):
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IUPAC Name: N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Empirical Formula: C26H25ClN2O3
Molecular Weight: 448.9413
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 49.85Å2
Index of Refraction: 1.663
Molar Refractivity: 126.96 cm3
Molar Volume: 342.4 cm3
Surface Tension: 59.7 dyne/cm
Density: 1.311 g/cm3
Flash Point: 313.3 °C
Enthalpy of Vaporization: 93.18 kJ/mol
Boiling Point: 594.4 °C at 760 mmHg
Vapour Pressure: 5.64E-15 mmHg at 25°C
Smiles
c1cc(c(cc1)C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3c2ccc(c3)Cl)O)c(c1)C
Classification Code: Treatment of congestive heart failure and hyponatremia [vasopressin V2 receptor antagonist]; Vasopressin V2 Receptor Antagonist
Specification
Tolvaptan , with CAS number of 150683-30-0, can be called N-[4-[(5R)-7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide ; (+-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl) carbonyl)-o-tolu-m-toluidide ; 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- .