Nafamostat

C19H17N5O2CAS 81525-10-2347.38 g/mol

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NHNH2HNOONHNH2
AmidineEsterGuanidine

Properties

Molecular formula
C19H17N5O2
Molar mass
347.38 g/mol
Exact mass
347.1382 Da
logP
2.65Crippen estimate
Polar surface area
138.1 Ų
H-bond donors / acceptors
5 / 4
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
81525-10-2
SMILES
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1
InChIKey
MQQNFDZXWVTQEH-UHFFFAOYSA-N
InChI
InChI=1S/C19H17N5O2/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/h1-10H,(H3,20,21)(H4,22,23,24)

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Names and synonyms

3 names
  • Benzoic acid, 4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester
  • 6-Amidino-2-naphthyl 4-guanidinobenzoate
  • Nafamstat

Work with Nafamostat

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.

Nafamostat mesylate82956-11-4Salt

Similar compounds

β-Naphthyl benzoate93-44-745 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-142 % similar Camostat mesylate59721-29-841 % similar Bis[(3,4-dicarboxylic anhydride) phenyl]terephthalate21117-79-337 % similar 1,4-Benzenedicarboxylic acid bis(4-aminophenyl) ester16926-73-137 % similar 4-Aminophenyl 4-aminobenzoate20610-77-937 % similar (4-(4-Aminobenzoyl)oxyphenyl) 4-aminobenzoate22095-98-337 % similar Phenylguanidine bicarbonate6685-76-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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