Apovincamine

• Catalog Number: ACM4880926
• Product Name: Apovincamine
• CAS: 4880-92-6
• Category: Heterocyclic Organic Compound
• Synonyms: Methyl (3alpha,16alpha)-eburnamenine-14-carboxylate
• IUPAC Name: Apovincamine
• Molecular Weight: 336.4
• Molecular Formula: C₂₁H₂₄N₂O₂
• Canonical SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC
• InChI: InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1
• InChI Key: OZDNDGXASTWERN-CTNGQTDRSA-N
• Boiling Point: 405.7ºC at 760mmHg
• Melting Point: 160-162 °C
• Flash Point: 199.1ºC
• Density: 1.3g/cm³
• Complexity: 603
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• EC Number: 225-491-0
• Exact Mass: 336.183778013
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC
• Monoisotopic Mass: 336.183778013
• Physical State: Powder
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 34.5 Ų