2-(Nitrooxy)Ethyl Apovincaminate
[CAS# 128759-76-2]

Identification

• Name: 2-(Nitrooxy)Ethyl Apovincaminate
• Synonyms: Eburnamenine-14 Carboxylic Acid (2-Nitroxyethyl)Ester; Eburnamenine-14-Carboxylic Acid, 2-(Nitrooxy)Ethyl Ester, (3Alpha,16Alpha)-; Noetapov
• Molecular Formula: C₂₂H₂₅N₃O₅
• Molecular Weight: 411.46
• CAS Registry Number: 128759-76-2
• SMILES: [C@@H]14N5CCC2=C1[N](C3=CC=CC=C23)C(=C[C@@]4(CCC5)CC)C(OCCO[N+]([O-])=O)=O
• InChI: 1S/C22H25N3O5/c1-2-22-9-5-10-23-11-8-16-15-6-3-4-7-17(15)24(19(16)20(22)23)18(14-22)21(26)29-12-13-30-25(27)28/h3-4,6-7,14,20H,2,5,8-13H2,1H3/t20-,22+/m1/s1
• InChIKey: VDHLDQHKSSLLJV-IRLDBZIGSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 494.424°C at 760 mmHg (Cal.)
• Flash point: 252.819°C (Cal.)