Hydroxy{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy}acetic acid - 3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate (1:1)
[CAS# 88803-36-5]

Identification

• Name: Hydroxy{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy}acetic acid - 3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate (1:1)
• Synonyms: Acetic acid, hydroxy((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methoxy)-, mixt. with 2,2-bis((nitrooxy)methyl)-1,3-propanediyl dinitrate; Mycoril; Myocoril
• Molecular Formula: C₁₅H₂₁N₅O₁₈
• Molecular Weight: 559.35
• CAS Registry Number: 88803-36-5
• SMILES: [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O.O=C(O)C(O)OCc1cnc(c(O)c1CO)C
• InChI: 1S/C10H13NO6.C5H8N4O12/c1-5-8(13)7(3-12)6(2-11-5)4-17-10(16)9(14)15;10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h2,10,12-13,16H,3-4H2,1H3,(H,14,15);1-4H2
• InChIKey: GNIDUJTWLLFYKT-UHFFFAOYSA-N

Properties

• Boiling point: 426.7°C at 760 mmHg (Cal.)
• Flash point: 198.8°C (Cal.)