Carindacillin
[CAS# 35531-88-5]

Identification

• Name: Carindacillin
• Synonyms: (2S,5R,6R)-6-[(3-Indan-5-Yloxy-3-Oxo-2-Phenyl-Propanoyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(5-Indanyloxy)-1,3-Dioxo-2-Phenylpropyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[(3-Indan-5-Yloxy-3-Keto-2-Phenyl-Propanoyl)Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₆H₂₆N₂O₆S
• Molecular Weight: 494.56
• CAS Registry Number: 35531-88-5
• SMILES: [C@@H]12N([C@@H](C(O)=O)C(S1)(C)C)C(=O)[C@H]2NC(C(C3=CC=CC=C3)C(OC5=CC4=C(CCC4)C=C5)=O)=O
• InChI: 1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1
• InChIKey: JIRBAUWICKGBFE-MNRDOXJOSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 812.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 445.2±34.3°C (Cal.)