Cetraxate Benzyl Ester hydrochloride
[CAS# 27725-13-9]

Identification

• Name: Cetraxate Benzyl Ester hydrochloride
• Synonyms: [4-(3-Benzyloxy-3-Oxo-Propyl)Phenyl] 4-(Aminomethyl)Cyclohexane-1-Carboxylate Hydrochloride; 4-(Aminomethyl)-1-Cyclohexanecarboxylic Acid [4-(3-Benzyloxy-3-Oxopropyl)Phenyl] Ester Hydrochloride; 4-(Aminomethyl)Cyclohexane-1-Carboxylic Acid [4-(3-Benzoxy-3-Keto-Propyl)Phenyl] Ester Hydrochloride
• Molecular Formula: C₂₄H₃₀ClNO₄
• Molecular Weight: 431.96
• CAS Registry Number: 27725-13-9
• SMILES: [H+].C2=C(OC(=O)C1CCC(CC1)CN)C=CC(=C2)CCC(OCC3=CC=CC=C3)=O.[Cl-]
• InChI: 1S/C24H29NO4.ClH/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20;/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2;1H
• InChIKey: ABBGKHNUPGYMRC-UHFFFAOYSA-N

Properties

• Boiling point: 536.9°C at 760 mmHg (Cal.)
• Flash point: 174.8°C (Cal.)