Brucine sulfate salt hydrate - CAS 652154-10-4

Brucine sulfate salt hydrate is a chiral resolution reagent to separate racemic compounds into different mirror isomers and is an important tool for the production of optically active drugs.

Catalog Number

652154-10-4

CAS

652154-10-4

IUPAC 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;hydrate

Synonyms

Brucine sulfate hydrate

Molecular Weight

443.5

Molecular Formula

(C23H26N2O4)2 .H2SO4.xH2O

Product Information

Canonical SMILES

[H]O[H].OS(O)(=O)=O.[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H].[H][C@@]89CC(=O)N%10c%11cc(OC)c(OC)cc%11[C@]%12%13CC[N@H]%14CC(=CCO8)[C@]([H])(C[C@@H]%12%14)[C@]9([H])[C@]%10%13[H]

InChI

InChI=1S/2C23H26N2O4.H2O4S.H2O/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);1H2/t2*13-,18-,19-,21-,22-,23+;;/m00../s1

InChI Key

DYCXTLLGAUPAQK-YZWZKZGNSA-N

MDL

MFCD00150158

Hazard Class

6.1

WGK Germany

Packing Groups

Safety Information

Signal Word

Danger

Precautionary Statement

P273 - P301+P310+P330 - P304+P340+P310

Hazard Statements

H300+H330 - H412

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Brucine sulfate salt hydrate - CAS 652154-10-4

Product Information

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