Benexate Hydrochloride
[CAS# 78718-25-9]

Identification

• Name: Benexate Hydrochloride
• Synonyms: Benzyl 2-[4-(Guanidinomethyl)Cyclohexanecarbonyl]Oxybenzoate Hydrochloride; 2-[[4-(Guanidinomethyl)Cyclohexyl]-Oxomethoxy]Benzoic Acid Benzyl Ester Hydrochloride; 2-[4-(Guanidinomethyl)Cyclohexanecarbonyl]Oxybenzoic Acid Benzyl Ester Hydrochloride
• Molecular Formula: C₂₃H₂₈ClN₃O₄
• Molecular Weight: 445.94
• CAS Registry Number: 78718-25-9
• SMILES: [H+].C2=C(OC(=O)C1CCC(CC1)CN=C(N)N)C(=CC=C2)C(OCC3=CC=CC=C3)=O.[Cl-]
• InChI: 1S/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H
• InChIKey: ZNYYFCHDQJQKOK-UHFFFAOYSA-N

Properties

• Boiling point: 582.7°C at 760 mmHg (Cal.)
• Flash point: 306.2°C (Cal.)