237868
Brucine sulfate heptahydrate
ACS reagent grade, solid
Synonym(s):
2,3-Dimethoxystrychnidin-10-one sulfate heptahydrate
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About This Item
Product Name
Brucine sulfate heptahydrate, ACS reagent
InChI key
PPJIVFYMRNHHTJ-JYGVWXPPSA-N
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
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]
grade
ACS reagent
form
solid
optical activity
[α]22/D −24°, c = 1 in H2O
ign. residue
≤0.1%
loss
≤13.0% loss on drying
mp
180 °C (dec.) (lit.)
functional group
ether
Quality Level
Related Categories
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Chronic 3
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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