Manzamine a

• CAS: 104196-68-1
• Catalog Number: ACM104196681
• Category: Inhibitors
• Molecular Weight: 548.8
• Molecular Formula: C₃₆H₄₄N₄O
• Description: Manzamine A is an orally active beta-carboline alkaloid.
• Synonyms: Keramamine A
• IUPAC Name: (1R,2R,4R,5Z,12R,13S,16Z)-25-(9H-Pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
• Canonical SMILES: C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78
• InChI: InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1
• InChI Key: FUCSLKWLLSEMDQ-MKYGIPPKSA-N
• Boiling Point: 756.6±60.0 °C
• Density: 1.26±0.1 g/cm³
• Solubility: Soluble in DMSO
• Appearance: Yellow oil
• Complexity: 1050
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 5
• Exact Mass: 548.35151204
• Heavy Atom Count: 41
• Isomeric SMILES: C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78
• Monoisotopic Mass: 548.35151204
• Physical State: Powder
• Storage Conditions: Powder: -20°C for 3 years In solvent: -80°C for 2 years
• Topological Polar Surface Area: 55.4 Ų