Nafamostat mesylate

C20H21N5O5SCAS 82956-11-4443.48 g/mol

Open in Covalent MOL file
SOOHONHNH2HNOONHNH2
AmidineEsterGuanidineSulfonic acid

Properties

Molecular formula
C20H21N5O5S
Molar mass
443.48 g/mol
Exact mass
443.1263 Da
Melting point
217–220 °C
logP
2.15Crippen estimate
Polar surface area
192.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
82956-11-4
SMILES
CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1
InChIKey
ZESSXQLDESEKGC-UHFFFAOYSA-N
InChI
InChI=1S/C19H17N5O2.CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);1H3,(H,2,3,4)

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Names and synonyms

9 names
  • Benzoic acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester, methanesulfonate (1:2)
  • Benzoic acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate
  • FUT 175
  • Nafamostat mesilate
  • 6-Amidino-2-naphthyl p-guanidinobenzoate
  • Futhan
  • Nafamostat dimethanesulfonate
  • Nafamastat mesylate
  • Coahibitor

Work with Nafamostat 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

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 Nafamostat81525-10-2Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

β-Naphthyl benzoate93-44-737 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-137 % similar Pentamidine isethionate140-64-733 % similar Hexamidine diisethionate659-40-533 % similar 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-032 % similar Phenylguanidine bicarbonate6685-76-332 % similar Bis[(3,4-dicarboxylic anhydride) phenyl]terephthalate21117-79-331 % similar 2,2′-[2-(Methoxycarbonyl)-1,4-phenylene] bis[6-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]-2-naphthalenecarboxylate]914918-26-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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