Nitriloprostaglandin I2
[CAS# 67496-60-0]

Identification

• Name: Nitriloprostaglandin I2
• Synonyms: 5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-3,3A,4,5,6,6A-Hexahydrocyclopenta[D]Pyrrol-2-Yl]Valeric Acid; 9-Deoxy-9 Alpha,6-Nitrilo-Pgf1alpha Hydrochloride; Cyclopenta(B)Pyrrole-2-Pentanoic Acid, 3,3A,4,5,6,6A-Hexahydro-5-Hydroxy-4-(3-Hydroxy-1-Octenyl)-, (3Ar-(3Aalpha,4Alpha(1E,3S*),5Beta,6Aalpha))-
• Molecular Formula: C₂₀H₃₃NO₄
• Molecular Weight: 351.49
• CAS Registry Number: 67496-60-0
• SMILES: [C@@H]12[C@@H](N=C(C1)CCCCC(=O)O)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)CCCCC
• InChI: 1S/C20H33NO4/c1-2-3-4-8-15(22)10-11-16-17-12-14(7-5-6-9-20(24)25)21-18(17)13-19(16)23/h10-11,15-19,22-23H,2-9,12-13H2,1H3,(H,24,25)/b11-10+/t15-,16+,17+,18-,19+/m0/s1
• InChIKey: UWNHUGLBZPBSGW-RFMDEJACSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 519.216°C at 760 mmHg (Cal.)
• Flash point: 267.813°C (Cal.)