Cas no 68353-55-9 (7-O-Demethyl a-Narcotine)

7-O-Demethyl a-Narcotine structure
7-O-Demethyl a-Narcotine structure
Product Name:7-O-Demethyl a-Narcotine
CAS No:68353-55-9
MF:C21H21NO7
MW:399.393946409225
CID:3162229
PubChem ID:11372950
Update Time:2025-09-19

7-O-Demethyl a-Narcotine Chemical and Physical Properties

Names and Identifiers

    • (S)-7-hydroxy-6-methoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo-[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one
    • 7-O-Demethyl α-Narcotine
    • CHEMBL224797
    • 68353-55-9
    • ICGJAAVPMLXDHF-AEFFLSMTSA-N
    • (3S)-7-hydroxy-6-methoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
    • 7-O-Demethyl a-Narcotine
    • SCHEMBL15656749
    • (3S)-7-Hydroxy-6-methoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone; [S-(R*,S*)]-7-hydroxy-6-methoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone; 7-Hydroxy-alpha-narcotine;
    • Inchi： 1S/C21H21NO7/c1-22-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)16(22)18-11-4-5-12(25-2)17(23)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1
    • InChI Key： ICGJAAVPMLXDHF-AEFFLSMTSA-N
    • SMILES： O1C(C2C(=C(C=CC=2[C@H]1[C@H]1C2C(=C3C(=CC=2CCN1C)OCO3)OC)OC)O)=O

Computed Properties

  • Exact Mass: 399.13180201g/mol
  • Monoisotopic Mass: 399.13180201g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 3
  • Complexity: 632
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 86.7?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 568.5±50.0 °C at 760 mmHg
  • Flash Point: 297.6±30.1 °C
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

7-O-Demethyl a-Narcotine Security Information

7-O-Demethyl a-Narcotine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D231285-10mg
7-O-Demethyl a-Narcotine
 68353-55-9
10mg
 $ 184.00 2023-09-08
TRC
D231285-100mg
7-O-Demethyl a-Narcotine
 68353-55-9
100mg
 $ 1453.00 2023-09-08

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