Brucine sulfate heptahydrate

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0051
CAS
60583-39-3
Product Name
Brucine sulfate heptahydrate
Structure

Product Details

Description
Brucine is an alkaline indole alkaloid found in Strychnos nux-vomica. It also acts as an antagonist at glycine receptors and paralyzes inhibitory neurons.
Synonyms
Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrate; Brucine sulfate (2:1), heptahydrate; (4aR,4a1R,5aS,8aR,8a1S,15aS)-10,11-dimethoxy-2,4a,4a1,5,5a,7,8,8a1,15,15a-decahydro-14H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one sulfate hydrate (2:1:7)
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;heptahydrate
Molecular Weight
1013.11
Molecular Formula
C23H26N2O4.1/2H2O4S.7/2H2O
Canonical SMILES
COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O
InChI
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
InChIKey
PPJIVFYMRNHHTJ-JYGVWXPPSA-N
Boiling Point
633.7°C at 760 mmHg
Melting Point
180°C
Purity
≥95%
Solubility
Soluble in DMSO
Appearance
White to Off-white Crystalline Powder
Storage
Store at -20°C
EINECS
629-252-5
Form
Neat
Hazard Class
6.1
Hazard Codes
T+
HS Code
29399900
MDL
MFCD00150159
Merck
14,1455
NACRES
NA.21
Packing Groups
I
RIDADR
UN2811
Risk Statements
26/28-52/53
RTECS
WL2103350
Safety Statements
13-45-61
Uses
As Resolving agent. Used in the Determination of nitrate. Used in Pharmaceutical and food industry.
Water Solubility
Soluble in hot water.
WGK Germany
3
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