Cas no 54383-36-7 (Noscapine N-Oxide)

Noscapine N-Oxide structure
Noscapine N-Oxide structure
Product Name:Noscapine N-Oxide
CAS No:54383-36-7
MF:C22H23NO8
MW:429.41992688179
CID:940966
PubChem ID:41058
Update Time:2025-04-19

Noscapine N-Oxide Chemical and Physical Properties

Names and Identifiers

    • Noscapine N-Oxide
    • α-narcotine N-oxide
    • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, N-oxide, (S-(R*,S*))-
    • l-alpha-Narcotine N-oxide
    • 54383-36-7
    • 6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-6-oxido-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one
    • DTXSID50969496
    • 6,7-Dimethoxy-3-(4-methoxy-6-methyl-6-oxo-5,6,7,8-tetrahydro-2H-6lambda~5~-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one
    • Inchi: 1S/C22H23NO8/c1-23(25)8-7-11-9-14-20(30-10-29-14)21(28-4)15(11)17(23)18-12-5-6-13(26-2)19(27-3)16(12)22(24)31-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18?,23?/m0/s1
    • InChI Key: HFGDOEGDRDVXPX-VVESCEMWSA-N
    • SMILES: O1C(C2C(=C(C=CC=2C1[C@@H]1C2C(=C3C(=CC=2CC[N+]1(C)[O-])OCO3)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 429.14200
  • Monoisotopic Mass: 429.142367
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 692
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.5
  • XLogP3: 2.2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 101.88000
  • LogP: 2.85320

Noscapine N-Oxide Pricemore >>

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