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SMB01317

Sinapine thiocyanate

Name: Sinapine thiocyanate
Brand: SIAL

research grade

Synonym(s):

Sinapine cyanide sulfonate, Sinapine thiocyanate anhydrous

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About This Item

Empirical Formula (Hill Notation):

C₁₇H₂₄N₂O₅S

CAS Number:

7431-77-8

Molecular Weight:

368.45

UNSPSC Code:

12352205

NACRES:

NA.77

eCl@ss:

32150936

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Properties

biological source

synthetic

Quality Segment

100

assay

≥98%

form

powder

storage condition

(keep sealed and from light)

technique(s)

HPLC: suitable

color

light yellow

storage temp.

−20°C

SMILES string

SC#N.[N+](CCOC(=O)C=Cc1c(cc(c(c1)OC)[O-])OC)(C)(C)C

InChI

1S/C16H23NO5.CHNS/c1-17(2,3)8-9-22-16(19)7-6-12-10-15(21-5)13(18)11-14(12)20-4;2-1-3/h6-7,10-11H,8-9H2,1-5H3;3H

InChI key

NPOZDPAVPFLLCN-UHFFFAOYSA-N

Description

General description

Sinapine thiocyanate is a salt of sinapine, the choline ester of sinapic acid. Sinapine is known to be present in some foods such as cauliflower, and it has been studied as a dietary precursor of TMAO (trimethylamine N-oxide) in rapeseed-derived feed for pigs.

Application

Metabolomics research, microbiome research

Other Notes

For additional information on our range of Biochemicals, please complete this form.

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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