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Merck

222526

Sigma-Aldrich

3-Methylxanthine

98%

Sinónimos:

2,6-Dihydroxy-3-methylpurine

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About This Item

Fórmula empírica (notación de Hill):
C6H6N4O2
Número de CAS:
Peso molecular:
166.14
Beilstein/REAXYS Number:
180944
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

assay

98%

mp

>300 °C (lit.)

SMILES string

CN1C(=O)NC(=O)c2[nH]cnc12

InChI

1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)

InChI key

GMSNIKWWOQHZGF-UHFFFAOYSA-N

Gene Information

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General description

3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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