Gabexate monomethanesulfonate

Gabexate A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.

Molecular Formula: C₁₇H₂₇N₃O₇S

InChI: InChI=1/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)/fC16H24N3O4.CH3O3S/h17H2,18H3;/q+1;-1/b19-16+;

InChIKey: InChIKey=DNTNDFLIKUKKOC-DMUWWESPDZ
SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C([NH3+])N.CS(=O)(=O)[O-]

Names:
    BENZOIC ACID, 4-((6-((AMINOIMINOMETHYL)AMINO)-1-OXOHEXYL)OXY)-, ETHYL ESTER, MON
    Ethyl p-(6-guanidinohexanoxyloxy)benzoate methanesulfonate
    Ethyl p-(6-guanidinohexanoyloxy) benzoate methanesulfonate
    Gabexate mesilate
    Gabexate mesylate
    Gabexate monomethanesulfonate
    Gabexato mesilato [Spanish]
    p-Hydroxybenzoic acid ethyl ester 6-guanidinohexanoate mesilate
    39492-01-8
    56974-61-9
    [N'-[5-(4-ethoxycarbonylphenoxy)carbonylpentyl]carbamimidoyl]azanium; methanesulfonate

Registries:
    PubChem CID 42080
    PubChem ID 182710