Calycanthine

• CAS: 595-05-1
• Catalog Number: ACM595051
• Category: Other Products
• Molecular Weight: 346.5
• Molecular Formula: C₂₂H₂₆N₄
• Synonyms: (4bS)-5,6,11,12-Tetrahydro-13,18-dimethyl-5β,10bβ:11β,4bβ-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine
• InChI: InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
• InChI Key: XSYCDVWYEVUDKQ-GXRSIYKFSA-N
• Melting Point: 245 °C
• Complexity: 531
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Exact Mass: 346.21574685
• Heavy Atom Count: 26
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C
• Monoisotopic Mass: 346.21574685
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 30.5 Ų