Gabexate mesylateProduct ingredient for Gabexate
- Name
- Gabexate mesylate
- Drug Entry
- Gabexate
Gabexate is a synthetic serine protease inhibitor which has been used as an anticoagulant. It also known to decrease production of inflammatory cytokines. Gabexate has been investigated for use in cancer, ischemia-reperfusion injury, and pancreatitis.4,5,6
- Accession Number
- DBSALT002364
- Structure
Structure for Gabexate mesylate (DBSALT002364)
- Synonyms
- Gabexate mesilate / Gabexato mesilato
- UNII
- E3Q07L0649
- CAS Number
- 56974-61-9
- Weight
- Average: 417.48
Monoisotopic: 417.156971395 - Chemical Formula
- C17H27N3O7S
- InChI Key
- DNTNDFLIKUKKOC-UHFFFAOYSA-N
- 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)
- IUPAC Name
- ethyl 4-[(6-carbamimidamidohexanoyl)oxy]benzoate; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1
- External Links
- ChemSpider
- 38378
- ChEBI
- 31641
- ChEMBL
- CHEMBL1398351
- Predicted Properties
Property Value Source Water Solubility 0.109 mg/mL ALOGPS logP 1.83 ALOGPS logP 2.1 Chemaxon logS -3.5 ALOGPS pKa (Strongest Basic) 12.13 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 114.5 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 96.7 m3·mol-1 Chemaxon Polarizability 35.67 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon