Reserpine

• CAS: 50-55-5
• Catalog Number: ACM50555
• Category: Inhibitors
• Molecular Weight: 608.69
• Molecular Formula: C33H40N2O9
• Description: Reserpine is an inhibitor of the vesicular monoamine transporter 2 (VMAT2).
• Synonyms: Benazyl
• IUPAC Name: Methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
• Canonical SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
• InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
• InChI Key: QEVHRUUCFGRFIF-MDEJGZGSSA-N
• Boiling Point: 655.12 °C
• Melting Point: 265 °C
• Flash Point: 22 °C
• Density: 1.2336 g/cm³
• Solubility: Soluble in water
• Appearance: Solid
• Storage: Inert atmosphere, room temperature
• Complexity: 1000
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 6
• Exact Mass: 608.27338086
• Heavy Atom Count: 44
• Hydrogen Bond Acceptor Count: 10
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
• Monoisotopic Mass: 608.27338086
• Physical State: Neat
• pKa: 6.6(at 25 °C)
• Refractive Index: 177 ° (C=1, DMF)
• Rotatable Bond Count: 10
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Solubility In Water: Soluble
• Source: Plantsother families
• Topological Polar Surface Area: 118 Ų