Dehydrocorydaline | SBID = 339 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 12
PubChem TPSA/Å2: 40.8
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 4.1
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 286.1
Sum Formula: C22H24NO4+
M / g/mol: 366.437
Complexity: 503.0
Number of Conformers: 2.0

Identifiers

  • Tags:
  • Name: Dehydrocorydaline
  • Preferred Abbreviation: Dehydrocorydaline
  • IUPAC Name: 2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
  • CAS: 30045-16-0
  • CID: 34781
  • InChiKey: RFKQJTRWODZPHF-UHFFFAOYSA-N
  • InChi: InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1
  • CanoSmiles: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC
  • IsoSmiles: CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC