Products 4845-99-2

CAS 4845-99-2 is the registry number for Brucine sulphate. Offered by: Biosynth. Available pack sizes: 500g, 250g.

Brucine sulphate
Biosynth
  • size: 500g, 250g
  • Variants: 2
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Structural formula: {0} (CAS {1})

Bis((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 (CAS 4845-99-2) is a chemical compound with the molecular formula C46H54N4O12S and a molecular weight of 887.0 g/mol. IUPAC name: bis((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. InChIKey: HCMSIGALSOEZRW-WIMNQIPBSA-N.

Identity
Molecular formulaC46H54N4O12S
Molecular weight887.0 g/mol
IUPAC namebis((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
InChIKeyHCMSIGALSOEZRW-WIMNQIPBSA-N
SMILESCOC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.OS(=O)(=O)O

Computed by PubChem (NCBI)

Synonyms: Brucine sulfate, Brucine sulphate, Brucine sulfate anhydrous, Brucine sulphate anhydrous, Brucine sulfate [NF], Brucine sulfate (VAN), HCMSIGALSOEZRW-WIMNQIPBSA-N, Sulfuric acid--2,3-dimethoxystrychnidin-10-one (1/2)