Brucine sulfate heptahydrate

Inquiry

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

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

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