(Z)-N-Methyl-2-nitro-N'-(2-{[(5-{[(1R)-tricyclo[2.2.1.0^2,6]hept-3-ylamino]methyl}-2-furyl)methyl]sulfanyl}ethyl)-1,1-ethenediamine
[CAS# 93064-63-2]

Identification

• Name: (Z)-N-Methyl-2-nitro-N'-(2-{[(5-{[(1R)-tricyclo[2.2.1.0^2,6]hept-3-ylamino]methyl}-2-furyl)methyl]sulfanyl}ethyl)-1,1-ethenediamine
• Synonyms: Venritidine
• Molecular Formula: C₁₈H₂₆N₄O₃S
• Molecular Weight: 378.49
• CAS Registry Number: 93064-63-2
• SMILES: [O-][N+](=O)\C=C(\NC)NCCSCc1oc(cc1)CNC4C3[C@@H]2CC4CC23
• InChI: 1S/C18H26N4O3S/c1-19-16(9-22(23)24)20-4-5-26-10-13-3-2-12(25-13)8-21-18-11-6-14-15(7-11)17(14)18/h2-3,9,11,14-15,17-21H,4-8,10H2,1H3/b16-9-/t11?,14-,15?,17?,18?/m1/s1
• InChIKey: NIEBFIZWKXFMDD-DEDRDAHBSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 543.785°C at 760 mmHg (Cal.)
• Flash point: 282.671°C (Cal.)