KI696 isomer
[CAS# 1799974-69-8]

Identification

• Name: KI696 isomer
• Synonyms: (3R)-3-(7-methoxy-1-methylbenzotriazol-5-yl)-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1?6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid
• Molecular Formula: C₂₈H₃₀N₄O₆S
• Molecular Weight: 550.63
• CAS Registry Number: 1799974-69-8
• SMILES: C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@@H](CC(=O)O)C4=CC5=C(C(=C4)OC)N(N=N5)C)C

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.662, Calc.^*
• Boiling Point: 760.5±70.0 °C (760 mmHg), Calc.^*
• Flash Point: 413.7±35.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319
• Safety Statements: P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501