Cas no 3860-46-6 ((1R,9R)-Narcotine)

(1R,9R)-Narcotine structure
(1R,9R)-Narcotine structure
Product Name:(1R,9R)-Narcotine
CAS No:3860-46-6
MF:C22H23NO7
MW:413.420526742935
CID:2082386
PubChem ID:31411
Update Time:2025-04-21

(1R,9R)-Narcotine Chemical and Physical Properties

Names and Identifiers

    • (1R,9R)-Narcotine
    • (1RS,9RS)-Narcotine
    • beta-Narcotine
    • (-)-β-Narcotine
    • (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
    • NCGC00017174-02
    • NCGC00015757-06
    • Q27165285
    • Spectrum4_000456
    • BSPBio_002113
    • SCHEMBL7862895
    • NCGC00015757-03
    • NCGC00015757-02
    • Spectrum3_000527
    • CAS-128-62-1
    • NCGC00015757-01
    • (-)-beta-narcotine
    • Spectrum_001069
    • NCGC00016388-03
    • SPBio_001053
    • SBI-0206692.P002
    • (3R)-3-((5R)-4-methoxy-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoq uinolin-5-yl))-6,7-dimethoxy-3-hydroisobenzofuran-1-one
    • CCG-36462
    • L-beta-Narcotine
    • TNP00034
    • NCGC00016388-01
    • 3860-46-6
    • CHEMBL1403892
    • Spectrum2_000987
    • KBio2_006685
    • DTXSID70191919
    • 6035-40-1
    • KBioGR_000872
    • (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
    • AB00053507_10
    • KBio2_004117
    • AKOS021650200
    • TNP00110
    • Spectrum5_001276
    • NCGC00017174-01
    • CHEBI:93592
    • SDCCGMLS-0066644.P001
    • BRD-K91301684-003-02-2
    • KBio2_001549
    • 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)-, (R-(R*,R*))-
    • KBioSS_001549
    • KBio3_001613
    • Lopac-N-9007
    • BRD-K91301684-003-04-8
    • BRD-K91301684-003-05-5
    • 684-374-6
    • Inchi： 1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1
    • InChI Key： AKNNEGZIBPJZJG-QZTJIDSGSA-N
    • SMILES： O1C(C2C(=C(C=CC=2[C@@H]1[C@H]1C2C(=C3C(=CC=2CCN1C)OCO3)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 413.147452
  • Monoisotopic Mass: 413.147452
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 647
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.7
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.332
  • Boiling Point: 565.3°Cat760mmHg
  • Flash Point: 295.7°C

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