Basic information
- Name:
Gabexate mesylate
- CAS No.:
56974-61-9
- Molecular Structure:
- Formula:
- C17H27N3O7S
- Molecular Weight:
- 417.53
- Synonyms:
- p-Hydroxybenzoic acid ethyl ester 6-guanidinohexanoate mesilate;Ethyl p-(6-guanidinohexanoxyloxy)benzoate methanesulfonate;Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester, monomethanesulfonate;FOY 007;Arodate (TN);[N-[5-(4-ethoxycarbonylphenoxy)carbonylpentyl]carbamimidoyl]azanium; methanesulfonate;Benzoic acid,4-[[6-[(aminoiminomethyl)amino]- 1-oxohexyl]oxy]-,ethyl ester,monomethanesulfonate;Ethyl p-hydroxybenzoate 6-guanidinohexanoate;39492-01-8;Gabexate mesilate (JP14);Gabexate mesilate;FOY;FOY-S 983;Gabexate monomethanesulfonate;Gabexatum [INN-Latin];Gabexato [INN-Spanish];Gabexato mesilato [Spanish];Ethyl p-(6-guanidinohexanoyloxy) benzoate methanesulfonate;gabexate mesylate;4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxyl)benzoic acid ethyl ester mesylate salt;
- Boiling Point:
- 508.6 °C at 760 mmHg
- Flash Point:
- 261.4 °C
- Appearance:
- white crystal
- Hazard Symbols:
Xn
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Specification
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:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 20mg/kg (20mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 71, Pg. 71, 1975. |
| mouse | LD50 | intravenous | 218mg/kg (218mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 1203, 1987. |
| mouse | LD50 | oral | 8gm/kg (8000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 743, 1975. |
| mouse | LD50 | subcutaneous | 4500mg/kg (4500mg/kg) | SKIN AND APPENDAGES (SKIN): CORROSIVE: AFTER TOPICAL EXPOSURE | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 743, 1975. |
| rabbit | LDLo | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 71, Pg. 71, 1975. |
| rat | LD50 | intravenous | 79mg/kg (79mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 743, 1975. | |
| rat | LD50 | oral | 6480mg/kg (6480mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 743, 1975. |
| rat | LD50 | subcutaneous | 4020mg/kg (4020mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 743, 1975. |