Products 652154-10-4

CAS 652154-10-4 is the registry number for Brucine sulfate hydrate, 98% (dry wt.), water <13% . Offered by: Thermo Scientific (Alfa Aesar). Available pack sizes: 25g, 100g.

Brucine sulfate hydrate, 98% (dry wt.), water <13%
Thermo Scientific (Alfa Aesar)
  • size: 25g, 100g
  • Variants: 2
from 198.67
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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;hydrate (CAS 652154-10-4) is a chemical compound with the molecular formula C46H56N4O13S and a molecular weight of 905.0 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;hydrate. InChIKey: DYCXTLLGAUPAQK-YZWZKZGNSA-N.

Identity
Molecular formulaC46H56N4O13S
Molecular weight905.0 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;hydrate
InChIKeyDYCXTLLGAUPAQK-YZWZKZGNSA-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.O.OS(=O)(=O)O

Computed by PubChem (NCBI)

Synonyms: Brucine sulfate salt hydrate, DYCXTLLGAUPAQK-YZWZKZGNSA-N, 10,11-Dimethoxystrychninesulfate salt, Sulfuric acid--2,3-dimethoxystrychnidin-10-one--water (1/2/1)