(2E)-8-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-[7-(2-Amino-3-Hydroxy-3-Oxopropyl)-5-Hydroxy-3-Oxo-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid
[CAS# 35394-49-1]

Identification

• Name: (2E)-8-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-[7-(2-Amino-3-Hydroxy-3-Oxopropyl)-5-Hydroxy-3-Oxo-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid
• Synonyms: (2E)-8-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-2-[7-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-5-Hydroxy-3-Oxo-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid; (2E)-8-(2-Amino-3-Hydroxy-3-Keto-Propyl)-2-[7-(2-Amino-3-Hydroxy-3-Keto-Propyl)-5-Hydroxy-3-Keto-4H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-1,4-Benzothiazine-3-Carboxylic Acid; Trichosiderin B
• Molecular Formula: C₂₃H₂₀N₄O₉S₂
• Molecular Weight: 560.55
• CAS Registry Number: 35394-49-1
• SMILES: C4=C3SC(=C/2SC1=C(C=CC(=C1N=C2C(=O)O)O)CC(N)C(=O)O)\C(=O)NC3=C(O)C=C4CC(N)C(=O)O
• InChI: 1S/C23H20N4O9S2/c24-9(21(31)32)3-7-4-12(29)14-13(5-7)37-19(20(30)27-14)18-16(23(35)36)26-15-11(28)2-1-8(17(15)38-18)6-10(25)22(33)34/h1-2,4-5,9-10,28-29H,3,6,24-25H2,(H,27,30)(H,31,32)(H,33,34)(H,35,36)/b19-18+
• InChIKey: XHNIELAPHCENGK-VHEBQXMUSA-N

Properties

• Density: 1.896g/cm³ (Cal.)