Cas no 60583-39-3 ((4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate)

(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate structure
60583-39-3 structure
Product Name:(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
CAS No:60583-39-3
MF:C46H68N4O19S
MW:1013.11253356934
MDL:MFCD00150159
CID:90064
PubChem ID:87563678
Update Time:2025-04-18

(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate Chemical and Physical Properties

Names and Identifiers

    • Brucine sulfate
    • Brucine Sulfate Heptahydrate[for Nitrate Analysis]
    • BRUCINE SULFATE HEPTAHYDRATE
    • Brucine Sulfate Heptahydrate [for Nitrate Analysis]
    • AK176350
    • (4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoi
    • Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate
    • 60583-39-3
    • 2,3-DIMETHOXYSTRYCHNIDIN-10-ONESULPHATE HEPTAHYDRATE
    • 4845-99-2
    • 10,11-Dimethoxystrychnine sulfate heptahydrate
    • UNII-O900CDH328
    • 2,3-Dimethoxystrychnidin-10-onesulfate heptahydrate
    • HMS3886J09
    • Brucine sulphate
    • brucine sulphate heptahydrate
    • Brucine sulfate heptahydrate, ACS reagent
    • 10,11-DIMETHOXYSTRYCHNINE SULPHATE HEPTAHYDRATE
    • (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
    • O900CDH328
    • Q27285491
    • BRUCINE SULFATE HEPTAHYDRATE [MI]
    • 2,3-Dimethoxystrychnidin-10-one sulfate (1:1) heptahydrate
    • s6172
    • PPJIVFYMRNHHTJ-JYGVWXPPSA-N
    • (4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate
    • MDL: MFCD00150159
    • Inchi: 1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1
    • InChI Key: PPJIVFYMRNHHTJ-JYGVWXPPSA-N
    • SMILES: S(=O)(=O)(O)O.O1CC=C2CN3CC[C@@]45C6C=C(C(=CC=6N6C(C[C@H]1[C@H]([C@H]2C[C@H]34)[C@H]65)=O)OC)OC.O1CC=C2CN3CC[C@@]45C6C=C(C(=CC=6N6C(C[C@H]1[C@H]([C@H]2C[C@H]34)[C@H]65)=O)OC)OC.O.O.O.O.O.O.O

Computed Properties

  • Exact Mass: 618.23100
  • Monoisotopic Mass: 886.346
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 2
  • Complexity: 866
  • Covalently-Bonded Unit Count: 10
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Topological Polar Surface Area: 141

Experimental Properties

  • Color/Form: White crystals
  • Density: No data available
  • Melting Point: 180°C (dec.)
  • Boiling Point: 633.7 °C at 760 mmHg
  • Flash Point: No data available
  • Water Partition Coefficient: Soluble in hot water.
  • PSA: 198.83000
  • LogP: 2.09050
  • Merck: 1455
  • Specific Rotation: -24 ~ -27° (c=1 in H2O)
  • Solubility: Soluble in hot water.

(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate Security Information

(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate Pricemore >>

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(4Ar,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid;heptahydrate Related Literature

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