Cas no 5956-60-5 (Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2))

Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2) structure
5956-60-5 structure
Product Name:Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2)
CAS No:5956-60-5
MF:C20H22ClNO6
MW:407.84478521347
CID:368893
PubChem ID:160800
Update Time:2025-04-19

Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2) Chemical and Physical Properties

Names and Identifiers

    • Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2)
    • BERBERINE CHLORIDE DIHYDRATE
    • 3-benzodioxolo(5,6-a)quinolizinium,5,6-dihydro-9,10-dimethoxy-benzo(g)-chl
    • 5,6-Dihydro-9,10-dimethoxybenzo(G)-1,3-benzodioxolo(5,6-A)quinolizinium chloride dihydrate
    • 5,6-dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinoliziniumchlor
    • Benzo(G)-1,3-benzodioxolo(5,6-A)quinolizinium,5,6-dihydro-9,10-dimethoxy-,chloride,dihydrate
    • BERBERINE CHLORIDE 2-HYDRATE
    • Berberine hydrochloride bihydrate
    • BERBERINIUM CHLOR
    • Testosterone Undecylate
    • 266464AEJZ
    • AC-19320
    • Q27254048
    • Berberinchlorid Dihydrat
    • AKOS024371061
    • Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride, dihydrate
    • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride dihydrate
    • BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM, 5,6-DIHYDRO-9,10-DIMETHOXY-, CHLORIDE, HYDRATE (1:1:2)
    • FT-0622875
    • 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;chloride;dihydrate
    • DTXSID5030820
    • BERBERINE CHLORIDE DIHYDRATE [MI]
    • 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-iumchloridedihydrate
    • UNII-266464AEJZ
    • BERBERINE CHLORIDE HYDRATE [JAN]
    • 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium chloride dihydrate
    • BERBERINE CHLORIDE HYDRATE [WHO-DD]
    • 5956-60-5
    • 2-(3,4-DICHLOROPHENYL)PENT-4-ENOICACIDN-METHYLAMIDE
    • Berberine chloride
    • SMR001233240
    • MLS002153890
    • MLSMR
    • MLS002702530
    • Berberine HCl
    • MLS000574966
    • SMR000156315
    • DB-053414
    • Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride
    • Inchi: 1S/C20H18NO4.ClH.2H2O/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;;;/h3-4,7-10H,5-6,11H2,1-2H3;1H;2*1H2/q+1;;;/p-1
    • InChI Key: NWMNHQUPWGJEKI-UHFFFAOYSA-M
    • SMILES: [Cl-].O1COC2C1=CC1=C(C=2)C2C=C3C=CC(=C(C3=C[N+]=2CC1)OC)OC.O.O

Computed Properties

  • Exact Mass: 407.11400
  • Monoisotopic Mass: 407.114
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 488
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.8A^2
  • XLogP3: 1.494

Experimental Properties

  • Melting Point: 204-206?°C (dec.)
  • PSA: 59.26000
  • LogP: -0.02830

Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2) Security Information

  • WGK Germany:2
  • Safety Instruction: S22-S24/25
  • FLUKA BRAND F CODES:3-10
  • RTECS:DR9866400
  • Safety Term:S22;S24/25

Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, chloride, hydrate (1:1:2) Pricemore >>

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