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485365

Sigma-Aldrich

Caffeine-(trimethyl-13C3)

99 atom % 13C, 99% (CP)

Synonym(s):

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)

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About This Item

Empirical Formula (Hill Notation):
13C3C5H10N4O2
CAS Number:
Molecular Weight:
197.17
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

99 atom % 13C

Quality Level

assay

99% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

234-236.5 °C (lit.)

mass shift

M+3

SMILES string

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

InChI key

RYYVLZVUVIJVGH-VMIGTVKRSA-N

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General description

L-Caffeine-(trimethyl-13C3) is an isotopic analogue of L-caffeine.

Application

L-Caffeine-(trimethyl-13C3) can be used
in the determination of L-Ephedrine, pseudooephedrine and caffeine in rat plasma using LC-TMS and study its toxicokinetic value.
as an internal standard for the investigation of caffeine concentration in drinking foods.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Analytical and bioanalytical chemistry, 405(24), 7783-7794 (2013-06-14)
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Journal of analytical toxicology, 35(6), 341-348 (2011-07-12)
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