Gabexate mesylate (56974-61-9)

The IUPAC name of Gabexate mesylate is Ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate ; Methanesulfonic acid . With the CAS registry number 56974-61-9, it is also can be called as Ethyl p-(6-guanidinohexanoxyloxy)benzoate methanesulfonate ; Ethyl p-(6-guanidinohexanoyloxy) benzoate methanesulfonate ; FOY ; Gabexate mesilate ; Gabexato mesilato ; Gabexato mesilato [Spanish] ; p-Hydroxybenzoic acid ethyl ester 6-guanidinohexanoate mesilate ; Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester, monomethanesulfonate . Gabexate mesylate (CAS NO.56974-61-9) is white crystal. It is soluble in alcohol, chloroform or water, slightly soluble in acetone, almost insoluble in ether . It belongs to the product categories: active pharmaceutical ingredients;benzoic acid.

Properties of Gabexate mesylate : (1)Enthalpy of Vaporization: 77.9 kJ/mol ; (2)Vapour Pressure: 1.83E-10 mmHg at 25 °C ; (3)H-Bond Donor: 3 ; (4)H-Bond Acceptor: 10 ; (5)Rotatable Bond Count: 11 ; (6)Tautomer Count: 2 ; (7)Exact Mass: 417.156971 ; (8)MonoIsotopic Mass: 417.156971 ; (9)Topological Polar Surface Area: 171 ; (10)Heavy Atom Count: 28

Gabexate mesylate (CAS NO.56974-61-9) is non-peptide protease inhibitors. It is used for acute pancreatitis, chronic recurrent acute pancreatitis, postoperative acute pancreatitis.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N.CS(=O)(=O)O;
(2)InChI: InChI=1S/C16H23N3O4.CH4O3S/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18;1-5(2,3)4/h7-10H,2-6,11H2,1H3,(H4,17,18,19);1H3,(H,2,3,4) ;
(3)InChIKey: DNTNDFLIKUKKOC-UHFFFAOYSA-N

Toxicity data of is as following: