Skip to Content
Merck
CN

Key Documents

View All Documentation

B0378

Brucine sulfate salt hydrate

Synonym(s):

10,11-Dimethoxystrychnine sulfate salt

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
(C23H26N2O4)2 · H2SO4
CAS Number:
652154-10-4
Molecular Weight:
443.50 (anhydrous basis)
UNSPSC Code:
12352200
NACRES:
NA.77
PubChem Substance ID:
24891514
EC Number:
225-432-9
Beilstein/REAXYS Number:
3875567
MDL number:
MFCD00150158
Form:
powder
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

form

powder

mp

~185 °C (dec.) (lit.)

SMILES string

[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]

InChI

1S/2C23H26N2O4.H2O4S.H2O/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);1H2/t2*13-,18-,19-,21-,22-,23+;;/m00../s1

InChI key

DYCXTLLGAUPAQK-YZWZKZGNSA-N

General description

Brucine sulfate hydrate is a sulfate salt of brucine, a major pharmacological constituent of Strychnos nux-vomica seeds, that is known for its anti-inflammatory and analgesic activities. Brucine is also used as a chiral resolving agent for the optical resolution of tertiary acetylenic alcohols into enantiomers.

Application

Brucine sulfate salt hydrate can be used:
  • As an electron donor in the synthesis of charge transfer complexes with electron acceptors like DDQ (2,3-dichloro-5,6-dicyano-p-benzoquinone) and chloranilic acid.
  • As a chiral agent or chiral dopant in the preparation of lyotropic cholesteric liquid crystalline phases.

pictograms

Skull and crossbones
GHS06

signalword

Danger

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

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

新产品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000164663
0000164663
0000127716
0000127715
0000115052

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Charge transfer complexes of brucine with chloranilic acid, 2, 3-dichloro-5, 6-dicyano-1, 4-benzoquinone and tetracyanoquinodimethane: Synthesis, spectroscopic characterization and antimicrobial activity
Airabiah H, et al.
Journal of Molecular Liquids, 286(46), 110754-110754 (2019)
Effect of alkyl chain length of alcohols on cholesteric uniaxial to cholesteric biaxial phase transitions in a potassium laurate/alcohol/potassium sulfate/water/brucine lyotropic mixture: evidence of a first-order phase transition
Reis D, et al.
The Journal of Physical Chemistry B, 117(3), 942-948 (2013)
A novel brucine gel transdermal delivery system designed for anti-inflammatory and analgesic activities
Wu P, et al.
International Journal of Molecular Sciences, 18(4), 757-757 (2017)
View All Related Papers

Global Trade Item Number

SKUGTIN
B0378-100G04061833419724
B0378-25G04061833419731