chempirical

Camostat mesylate

C21H26N4O8SCAS 59721-29-8494.52 g/mol

Open in Covalent MOL file
NOOOOOHNNHH2NSOOOH
AmideEsterGuanidineSulfonic acid

Properties

Molecular formula
C21H26N4O8S
Molar mass
494.52 g/mol
Exact mass
494.1471 Da
Melting point
150–155 °C
logP
0.89Crippen estimate
Polar surface area
189.2 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
7

Identifiers

CAS number
59721-29-8
SMILES
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O
InChIKey
FSEKIHNIDBATFG-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)

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

Names and synonyms

6 names
  • Benzeneacetic acid, 4-[[4-[(aminoiminomethyl)amino]benzoyl]oxy]-, 2-(dimethylamino)-2-oxoethyl ester, methanesulfonate (1:1)
  • Benzeneacetic acid, 4-[[4-[(aminoiminomethyl)amino]benzoyl]oxy]-, 2-(dimethylamino)-2-oxoethyl ester, monomethanesulfonate
  • FOY 305
  • FOY-S 980
  • Foipan
  • Camostat monomethanesulfonate

Work with Camostat mesylate

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

Nafamostat mesylate82956-11-456 % similar Gabexate mesilate56974-61-949 % similar (Dimethylcarbamoyl)methyl 2-(4-hydroxyphenyl)acetate59721-16-344 % similar Nafamostat81525-10-241 % similar p-Pentylphenyl p-propylbenzoate50649-60-033 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-132 % similar N-[3-[(Aminoiminomethyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide581076-65-531 % similar 4-Cyanophenyl 4-heptylbenzoate38690-76-530 % similar

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

Elsewhere

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