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Tolvaptan

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Tolvaptan / CAS : 150683-30-0

Appearance white to tan powder UN 0.0
HS 29339900 DG Class 0.0
Synonyms N-[4-(7-Chloro-5-Hydroxy-2,3,4,5-Tetrahydro-1-Benzazepine-1-Carbonyl)-3-Methylphenyl]-2-Methylbenzamide; Samsca; Benzazepine Derivative,32; N-[4-(9-Chloro-6-Hydroxy-2-Azabicyclo[5.4.0]Undeca-8,10,12-Triene-2-Carbonyl)-3-Methyl-Phenyl]-2-Methyl-Benzamide; N-[4-[(5R)-7-Chloro-5-Hydroxy-2,3,4,5-Tetrahydro-1-Benzazepine-1-Carbonyl]-3-Methylphenyl]-2-Methylbenzamide; Opc 41061; Tolvaptan Tablets
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Properties

Summary

Formula
C26H25ClN2O3
Molecular Mass
448.94100
Exact Mass
448.15500
PSA
69.64000
Logp
5.82110
IUPAC
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Urinary System Drugs
API & Intermediate > Digestive System Drugs
API & Intermediate > Inhibitors

Chemical and Physical Properties

Melting Point
219-222°C
Density
1.311±0.06 g/cm3(Predicted)
Boiling Point
594.4±50.0 °C(Predicted)
Flash Point
313.3ºC
Appearance
white to tan powder

Export information

HS Code
29339900
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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