Brucine sulfate salt hydrate

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Catalog Number
ACM652154104
Product Name
Brucine sulfate salt hydrate
Structure
Structure
CAS
652154-10-4
Category
Heterocyclic Organic Compound
Synonyms
Brucine sulfate salt hydrate, 10,11-Dimethoxystrychnine sulfate salt, B0378_SIGMA, 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]quinoline-14-one;sulfuric acid;hydrate
Molecular Weight
443.5
Molecular Formula
(C23H26N2O4)2.H2SO4.xH2O
Canonical SMILES
COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.OS(=O)(=O)O
InChI Key
DYCXTLLGAUPAQK-YZWZKZGNSA-N
Melting Point
-185ºC (dec.)(lit.)
Exact Mass
510.16700
Hazard Statements
T+
H-Bond Acceptor
15
H-Bond Donor
3
Safety Description
13-45-61
MSDS
Download MSDS
COA
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Spec Sheet
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