cis-(+-)-3,4-Dihydro-8-chloro-4'-methyl-4-(methylamino)-Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one
[CAS# 59787-45-0]

Identification

• Name: cis-(+-)-3,4-Dihydro-8-chloro-4'-methyl-4-(methylamino)-Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one
• Synonyms: Spiro(Benz(Cd)Indole-5(1H),2'(5'H)-Furan)-5'-One, 3,4-Dihydro-8-Chloro-4'-Methyl-4-(Methylamino)-, Cis-(+-)-; Toxin B (Penicillium Islandicum)
• Molecular Formula: C₁₆H₁₅ClN₂O₂
• Molecular Weight: 302.76
• CAS Registry Number: 59787-45-0
• SMILES: [C@@]14(OC(=O)C(=C1)C)C2=CC=C(Cl)C3=C2C(=C[NH]3)C[C@@H]4NC
• InChI: 1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m0/s1
• InChIKey: SDYOUVJWVNBXPX-BLLLJJGKSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 567.985°C at 760 mmHg (Cal.)
• Flash point: 297.307°C (Cal.)