Neothramycin A
[CAS# 59593-16-7]

Identification

• Name: Neothramycin A
• Synonyms: 5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One, 1,2,3,11A-Tetrahydro-3,8-Dihydroxy-7-Methoxy-, (3S-Trans)-; Antibiotic Mc-916-A; Mc-916-A
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26
• CAS Registry Number: 59593-16-7
• SMILES: [C@H]2(N1C(C3=C(N=C[C@@H]1CC2)C=C(C(=C3)OC)O)=O)O
• InChI: 1S/C13H14N2O4/c1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h4-7,12,16-17H,2-3H2,1H3/t7-,12-/m0/s1
• InChIKey: FXMOIYLVKOALHC-MADCSZMMSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 582.265°C at 760 mmHg (Cal.)
• Flash point: 305.943°C (Cal.)