Benexate hydrochloride
C13182 · TKG 01 · BENEXATE HCL · Benexate hydrochloride · (4β-(Guanidinomethyl)-1α-cyclohexanecarboxylic acid o-(benzyloxycarbonyl)phenyl)·hydrochloride · 2-[[[4α-(Guanidinomethyl)cyclohexane-1β-yl]carbonyl]oxy]benzoic acid phenylmethyl·hydrochloride · Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, monohydrochloride · Benzoic acid, 2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, monohydrochloride, trans-
Identifikatoren & physikalische Daten
| CAS No. | 78718-25-9 |
|---|---|
| Summenformel | C23H28ClN3O4 |
| Durchschnittliche Molmasse | 445,9 g/mol |
| Monoisotopische Masse | 445,17683406 g/mol |
| SMILES | Cl.NC(N)=NCC1CCC(C(=O)Oc2ccccc2C(=O)OCc2ccccc2)CC1 |
| InChIKey | ZNYYFCHDQJQKOK-UHFFFAOYSA-N |
| PubChem CID | 444040 |
| ChEBI | CHEBI:31258 |
| DTXSID | DTXSID80999968 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 117 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 591 |
| Schmelzpunkt | 83° |
Anwendungen & Verwendung
Beschreibung
Benexate hydrochloride is a cytoprotective agent useful in the treatment of ulcers. In experimental models benexate inhibits the decrease of PGE2 and PGI2 induced by indomethacin or stress. Its relatively long duration of action offers a distinct advantage over other cytoprotective drugs.