NAFAMOSTAT MESYLATE

The Benzoic acid,4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester, with the CAS registry number 81525-10-2, is also known as 4-Guanidino-benzoic acid 6-carbamimidoyl-naphthalen-2-yl ester. This chemical's molecular formula is C₁₉H₁₇N₅O₂ and molecular weight is 347.3706. What's more, both its IUPAC name and systematic name are the same which is called (6-Carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate. This chemical's classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory; Agents; Anti-Inflammatory Agents, Non-Steroidal; Anticoagulants; Antirheumatic Agents; Complement Inactivating Agents; Enzyme Inhibitors; Hematologic Agents; Immunologic Factors; Immunosuppressive Agents; Peripheral Nervou; System Agents; Protease Inhibitors; Sensory System Agents; Serine Proteinase Inhibitors; Trypsin Inhibitors.

Physical properties about Benzoic acid,4-[(aminoiminomethyl)amino]-, 6-(aminoiminomethyl)-2-naphthalenyl ester are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7 ; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.74 Å²; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 95.41 cm³; (15)Molar Volume: 248.4 cm³; (16)Surface Tension: 61.8 dyne/cm; (17)Density: 1.39 g/cm³; (18)Flash Point: 339.1 °C; (19)Enthalpy of Vaporization: 94.13 kJ/mol; (20)Boiling Point: 637.2 °C at 760 mmHg; (21)Vapour Pressure: 3.9E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc2ccc1c(ccc(c1)C(=[N@H])N)c2)c3ccc(/N=C(\N)N)cc3
(2) InChI: InChI=1/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)
(3) InChIKey: MQQNFDZXWVTQEH-UHFFFAOYAD