Bentiromide
[CAS# 41748-47-4]

Identification

• Name: Bentiromide
• Synonyms: Sodium 4-[[2-Benzamido-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]Benzoate; Sodium (S)-4-((2-(Benzoylamino)-3-(4-Hydroxyphenyl)-1-Oxopropyl)Amino)Benzoate
• Molecular Formula: C₂₃H₁₉N₂NaO₅
• Molecular Weight: 426.40
• CAS Registry Number: 41748-47-4
• EINECS: 255-530-7
• SMILES: C3=C(CC(C(NC1=CC=C(C=C1)C(=O)[O-])=O)NC(C2=CC=CC=C2)=O)C=CC(=C3)O.[Na+]
• InChI: 1S/C23H20N2O5.Na/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30;/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30);/q;+1/p-1
• InChIKey: HEJYVLSWQWPKPQ-UHFFFAOYSA-M
• Protein Sequence: Bz-Tyr-4-Abz-OH . sodium salt

Properties

• Boiling point: 797.1°C at 760 mmHg (Cal.)
• Flash point: 435.9°C (Cal.)