chempirical

Eprosartan

C23H24N2O4SCAS 133040-01-4424.52 g/mol

Open in Covalent MOL file
NSOOHNOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C23H24N2O4S
Molar mass
424.52 g/mol
Exact mass
424.1457 Da
Melting point
260–261 °C
logP
4.74Crippen estimate
Polar surface area
92.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
10

Identifiers

CAS number
133040-01-4
SMILES
CCCCc1ncc(/C=C(Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1
InChIKey
OROAFUQRIXKEMV-LDADJPATSA-N
InChI
InChI=1S/C23H24N2O4S/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/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)-
  • 2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (E)-
  • (αE)-α-[[2-Butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic acid
  • SKF 108566
  • SKB 108566
  • (E)-2-Butyl-1-(p-carboxybenzyl)-α-2-thenylimidazole-5-acrylic acid
  • Teveten
  • Navixen

Work with Eprosartan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Eprosartan methanesulfonate144143-96-4Salt

Similar compounds

4-Butylbenzoic acid20651-71-241 % similar 4-Pentylbenzoic acid26311-45-538 % similar 4-Hexylbenzoic acid21643-38-937 % similar 4-Octylbenzoic acid3575-31-337 % similar 4-Nonylbenzoic acid38289-46-237 % similar 4-Heptylbenzoic acid38350-87-737 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-436 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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