Aranotine
[CAS# 19885-51-9]

Identification

• Name: Aranotine
• Synonyms: Antibiotic A 21101-Il; Aranotin [Usan:Inn]; Aranotina [Inn-Spanish]
• Molecular Formula: C₂₀H₁₈N₂O₇S₂
• Molecular Weight: 462.49
• CAS Registry Number: 19885-51-9
• SMILES: CC(OC6C5N3C4(C(N2C1C(=COC=CC1O)CC2(C3=O)SS4)=O)CC5=COC=C6)=O
• InChI: 1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3
• InChIKey: HXWOWBFXYUFFKS-UHFFFAOYSA-N

Properties

• Density: 1.729g/cm³ (Cal.)
• Boiling point: 853.62°C at 760 mmHg (Cal.)
• Flash point: 470.052°C (Cal.)