Cas no 131242-30-3 (alkaloid 376)

alkaloid 376 structure
alkaloid 376 structure
Product Name:alkaloid 376
CAS No:131242-30-3
MF:C23H24N2O3
MW:376.448266029358
CID:2072610
PubChem ID:46881102
Update Time:2025-04-21

alkaloid 376 Chemical and Physical Properties

Names and Identifiers

    • alkaloid 376
    • Leuconotis Alkaloid 376
    • methyl (1R,13S,14S,19S)-14-ethyl-9-oxo-8,16-diazahexacyclo(11.5.2.11,8.02,7.016,19.012,21)henicosa-2,4,6,10,12(21)-pentaene-10-carboxylate
    • methyl (1R,13S,14S,19S)-14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10,12(21)-pentaene-10-carboxylate
    • CHEMBL1083818
    • leuconicine B
    • Methyl (1S,13R,14S,19R)-14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.1,.0,.0,.0,]henicosa-2,4,6,10,12(21)-pentaene-10-carboxylic acid
    • 131242-30-3
    • Methyl (1S,13R,14S,19R)-14-ethyl-9-oxo-8,16-diazahexacyclo(11.5.2.1,.0,.0,.0,)henicosa-2,4,6,10,12(21)-pentaene-10-carboxylic acid
    • Inchi: 1S/C23H24N2O3/c1-3-13-12-24-9-8-23-17-6-4-5-7-18(17)25-20(23)15(14(13)11-19(23)24)10-16(21(25)26)22(27)28-2/h4-7,10,13-14,19H,3,8-9,11-12H2,1-2H3
    • InChI Key: SISNJMQUMOSGQC-UHFFFAOYSA-N
    • SMILES: CCC1C2C3=C4C5(C6C(=CC=CC=6)N4C(=O)C(C(OC)=O)=C3)C(N(CC5)C1)C2

Computed Properties

  • Exact Mass: 376.17869263Da
  • Monoisotopic Mass: 376.17869263Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 830
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.636
  • Topological Polar Surface Area: 49.9?2
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