(2S,3S,4S,5R,6R)-6-[(8-Chloro-6-Phenyl-4H-[1,2,4]Triazolo[4,5-a][1,4]Benzodiazepin-1-Yl)Methoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 144964-58-9]

Identification

• Name: (2S,3S,4S,5R,6R)-6-[(8-Chloro-6-Phenyl-4H-[1,2,4]Triazolo[4,5-a][1,4]Benzodiazepin-1-Yl)Methoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-6-[(8-Chloro-6-Phenyl-4H-[1,2,4]Triazolo[4,5-A][1,4]Benzodiazepin-1-Yl)Methoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[(8-Chloro-6-Phenyl-4H-[1,2,4]Triazolo[4,5-A][1,4]Benzodiazepin-1-Yl)Methoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[(8-Chloro-6-Phenyl-4H-[1,2,4]Triazolo[4,5-A][1,4]Benzodiazepin-1-Yl)Methoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₃H₂₁ClN₄O₇
• Molecular Weight: 500.89
• CAS Registry Number: 144964-58-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OCC2=NN=C4[N]2C3=CC=C(Cl)C=C3C(=NC4)C5=CC=CC=C5
• InChI: 1S/C23H21ClN4O7/c24-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)25-9-15-26-27-16(28(14)15)10-34-23-20(31)18(29)19(30)21(35-23)22(32)33/h1-8,18-21,23,29-31H,9-10H2,(H,32,33)/t18-,19-,20+,21-,23+/m0/s1
• InChIKey: RVFFPZASOVCVMN-KHYDEXNFSA-N

Properties

• Density: 1.707g/cm³ (Cal.)
• Boiling point: 803.921°C at 760 mmHg (Cal.)
• Flash point: 439.996°C (Cal.)