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Brucine sulfate heptahydrate

SIAL/237868 - ACS reagent

Synonym: 2,3-Dimethoxystrychnidin-10-one sulfate heptahydrate

CAS Number: 60583-39-3
Empirical Formula (Hill Notation): C46H52N4O8 · H2SO4 · 7H2O
Molecular Weight: 1013.11
EC Number: 225-432-9
MDL Number: MFCD00150159
Linear Formula: (C23H26N2O4)2 · H2SO4 · 7H2O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-237868-25G 25 g
 $93.30
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form solid
functional group ether
grade ACS reagent
ign. residue ≤0.1%
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
loss ≤13.0% loss on drying
mp 180 °C (dec.) (lit.)
optical activity [α]22/D −24°, c = 1 in H2O
Quality Level 200 
SMILES string [H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[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]
Packaging: 25 g in glass bottle
mp 180 °C (dec.) (lit.)
UNSPSC 12352100

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