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CAS No.: | 144143-96-4 |
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Name: | Eprosartan mesylate |
Molecular Structure: | |
Formula: | C23H24N2O4S.CH4O3S |
Molecular Weight: | 520.61832 |
Synonyms: | Teveten (TN);(E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, monomethanesulfonate;Eprosartan mesylate (USAN);2-Thiophenepropanoic acid,R-[[2-butyl-1-[(4-carboxyphenyl)- methyl]-1H-imidazol-5-yl]methylene]-,(RE)- ,monomethanesulfonate;Eprosartan mesylate [USAN:BAN];4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoic acid; methanesulfonic acid; |
EINECS: | 658-063-0 |
Density: | 1.26 g/cm3 |
Melting Point: | 248-250° |
Boiling Point: | 660.6 °C at 760 mmHg |
Flash Point: | 353.3 °C |
Appearance: | A white to off- white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 183.41000 |
LogP: | 5.32920 |
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The Eprosartan mesylate, with the CAS registry number 144143-96-4, is also known as Eprosartan mesylate dihydrate. It belongs to the product category of Eprosartan. This chemical's molecular formula is C24H28N2O7S2 and molecular weight is 520.61832. Its IUPAC name is called 4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid; methanesulfonic acid. What's more, this chemical's classification code is Antihypertensive.
Physical properties of Eprosartan mesylate: (1)ACD/LogP: 4.96; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 1.66; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.7; (7)ACD/KOC (pH 7.4): 3.08; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 10; (11)Flash Point: 353.3 °C; (12)Enthalpy of Vaporization: 102.14 kJ/mol; (13)Boiling Point: 660.6 °C at 760 mmHg; (14)Vapour Pressure: 2.37E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O.CS(=O)(=O)O
(2)Isomeric SMILES: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O.CS(=O)(=O)O
(3)InChI: InChI=1S/C23H24N2O4S.CH4O3S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;1-5(2,3)4/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);1H3,(H,2,3,4)/b18-12+
(4)InChIKey: DJSLTDBPKHORNY-XMMWENQYSA-N