chempirical

Eprosartan methanesulfonate

C24H28N2O7S2CAS 144143-96-4520.62 g/mol

Open in Covalent MOL file
NSOOHNOOHSOOOH
AlkeneCarboxylic acidSulfonic acid

Properties

Molecular formula
C24H28N2O7S2
Molar mass
520.62 g/mol
Exact mass
520.1338 Da
logP
4.25Crippen estimate
Polar surface area
146.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
10

Identifiers

CAS number
144143-96-4
SMILES
CCCCc1ncc(/C=C(Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O
InChIKey
DJSLTDBPKHORNY-XMMWENQYSA-N
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+;

Weigh it out

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

Names and synonyms

5 names
  • 2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αe)-, methanesulfonate (1:1)
  • 2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (E)-, monomethanesulfonate
  • 2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)-, monomethanesulfonate
  • SKF 108566J
  • Eprosartan mesylate

Work with Eprosartan methanesulfonate

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.

Methanesulfonic acid75-75-2Free acid Eprosartan133040-01-4Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Deferoxamine mesylate138-14-7Salt Tricaine methanesulfonate886-86-2Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Pergolide mesylate66104-23-2Salt

Similar compounds

4-Butylbenzoic acid20651-71-236 % similar 4-Pentylbenzoic acid26311-45-533 % similar 4-Hexylbenzoic acid21643-38-933 % similar 4-Octylbenzoic acid3575-31-333 % similar 4-Nonylbenzoic acid38289-46-233 % similar 4-Heptylbenzoic acid38350-87-733 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-432 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-732 % similar

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

Elsewhere

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