Cylindrospermopsin
[CAS# 143545-90-8]

Identification

• Classification: Analytical chemistry >> Standard >> Food and cosmetics standards
• Name: Cylindrospermopsin
• Synonyms: 2,4(1H,3H)-Pyrimidinedione, 6-(Hydroxy(2,2A,3,4,5,5A,6,7-Octahydro-3-Methyl-4-(Sulfooxy)-1H-1,8,8B-Triazaacenaphthylen-7-Yl)Methyl)-, (2A-Alpha,3-Alpha,4-Alpha,5A- Alpha,7-Beta(R*))-(-)-; Cylindrospermopsin
• Molecular Formula: C₁₅H₂₁N₅O₇S
• Molecular Weight: 415.42
• CAS Registry Number: 143545-90-8
• SMILES: [C@H](O)([C@@H]2NC1=NC[C@H]3N1[C@@H](C2)C[C@H](O[S](O)(=O)=O)[C@@H]3C)C4=CC(=O)NC(=O)N4
• InChI: 1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13+/m1/s1
• InChIKey: LHJPHMKIGRLKDR-YUQKHPEDSA-N

Properties

• Density: 2.031g/cm³ (Cal.)