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  2. 20267-87-2
Names and Identifiers
  • (+/-)-Chelidonine
  • CHELIDONINE MONOHYDRATE*
  • dl-Chelidonin
  • MDL:MFCD00069660
  • InChIKey:GHKISGDRQRSCII-ZOCIIQOWSA-N
  • Inchi:InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
  • SMILES:CN1CC2=C3C(=CC=C2[C@H]4[C@H](CC5=CC6=C(C=C5[C@H]41)OCO6)O)OCO3
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 371.13700
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 0
  • Heavy Atom Count: 26

Experimental Properties

  • LogP: 2.20490
  • PSA: 69.62000
  • Merck: 13,2061
  • Melting Point: 135-136 °C(lit.)
Security Information
  • Storage Condition:2-8°C
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