chempirical

Gabexate mesilate

C17H27N3O7SCAS 56974-61-9417.48 g/mol

Open in Covalent MOL file
OOOONHNHH2NSOOOH
EsterGuanidineSulfonic acid

Properties

Molecular formula
C17H27N3O7S
Molar mass
417.48 g/mol
Exact mass
417.1570 Da
logP
1.32Crippen estimate
Polar surface area
168.9 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
9

Identifiers

CAS number
56974-61-9
SMILES
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1.CS(=O)(=O)O
InChIKey
DNTNDFLIKUKKOC-UHFFFAOYSA-N
InChI
InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

11 names
  • Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethyl ester, methanesulfonate (1:1)
  • Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethyl ester, monomethanesulfonate
  • FOY
  • Gabexate mesylate
  • FOY-S 983
  • Mesyl gabexate
  • FOY 007
  • Megacert
  • Gabexate monomethanesulfonate
  • Arodate
  • Reminaron

Work with Gabexate mesilate

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

Similar compounds

Camostat mesylate59721-29-849 % similar Nafamostat mesylate82956-11-447 % similar Tricaine methanesulfonate886-86-243 % similar Leonurine24697-74-339 % similar Ethylparaben120-47-837 % similar Ethyl 4-ethoxybenzoate23676-09-737 % similar N-Benzoyl-L-arginine ethyl ester hydrochloride2645-08-137 % similar Ethyl 4-methoxybenzoate94-30-437 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook