Syrosingopine

• Catalog Number: ACM84366
• Product Name: Syrosingopine
• CAS: 84-36-6
• Category: Heterocyclic Organic Compound
• Synonyms: Menatensina
• Molecular Weight: 666.7
• Molecular Formula: C₃₅H₄₂N₂O₁₁
• InChI: InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1
• InChI Key: ZCDNRPPFBQDQHR-SSYATKPKSA-N
• Complexity: 1130
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 6
• Exact Mass: 666.27886016
• Heavy Atom Count: 48
• Hydrogen Bond Acceptor Count: 12
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC
• Monoisotopic Mass: 666.27886016
• Physical State: Solid
• Rotatable Bond Count: 13
• Topological Polar Surface Area: 144 Ų