chempirical

Nafamostat

C19H17N5O2CAS 81525-10-2347.38 g/mol

Open in Covalent MOL file
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

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

Similar compounds

Nafamostat mesylate82956-11-480 % similar β-Naphthyl benzoate93-44-745 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-142 % similar Camostat mesylate59721-29-841 % similar Phenylguanidine bicarbonate6685-76-336 % similar Pentamidine100-33-435 % similar N-(4-Cyanophenyl)guanidine5637-42-335 % similar 1,3-Phenylene dibenzoate94-01-934 % similar

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

Elsewhere

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