4-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxoisochroman-3-Yl)-3-Methylbutyl]Hexanediamide Hydrochloride
[CAS# 78683-77-9]

Identification

• Name: 4-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxoisochroman-3-Yl)-3-Methylbutyl]Hexanediamide Hydrochloride
• Synonyms: 4-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxo-Isochroman-3-Yl)-3-Methyl-Butyl]Hexanediamide Hydrochloride; 4-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Oxo-3-Isochromanyl)-3-Methylbutyl]Hexanediamide Hydrochloride; 4-Amino-2,3-Dihydroxy-N-[1-(8-Hydroxy-1-Keto-Isochroman-3-Yl)-3-Methyl-Butyl]Adipamide Hydrochloride
• Molecular Formula: C₂₀H₃₀ClN₃O₇
• Molecular Weight: 459.93
• CAS Registry Number: 78683-77-9
• SMILES: [H+].C1=CC=C(O)C2=C1CC(OC2=O)C(NC(=O)C(O)C(O)C(N)CC(=O)N)CC(C)C.[Cl-]
• InChI: 1S/C20H29N3O7.ClH/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)14-7-10-4-3-5-13(24)16(10)20(29)30-14;/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,25)(H,23,28);1H
• InChIKey: HJBLXZXEGHYDSI-UHFFFAOYSA-N

Properties

• Boiling point: 859.6°C at 760 mmHg (Cal.)
• Flash point: 473.7°C (Cal.)