6-[({(3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-Oxo-2-Pentanyl]Amino}Propanoyl]Octahydro-1H-Indol-2-Yl}Carbonyl)Oxy]-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid
[CAS# 120398-66-5]

Identification

• Name: 6-[({(3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-Oxo-2-Pentanyl]Amino}Propanoyl]Octahydro-1H-Indol-2-Yl}Carbonyl)Oxy]-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid
• Synonyms: Perindopril Acyl-¦Á-D-glucuronide; Perindopril Acyl-β-D-glucuronide
• Molecular Formula: C₂₅H₄₀N₂O₁₁
• Molecular Weight: 544.59
• CAS Registry Number: 120398-66-5
• SMILES: CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O
• InChI: 1S/C25H40N2O11/c1-4-8-14(23(34)36-5-2)26-12(3)21(31)27-15-10-7-6-9-13(15)11-16(27)24(35)38-25-19(30)17(28)18(29)20(37-25)22(32)33/h12-20,25-26,28-30H,4-11H2,1-3H3,(H,32,33)/t12-,13-,14-,15-,16?,17?,18?,19?,20?,25?/m0/s1
• InChIKey: VEYBPHDESXGJIN-VEYQHAJCSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 725.392°C at 760 mmHg (Cal.)
• Flash point: 392.503°C (Cal.)
• Refractive index: 1.574 (Cal.)