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222526

3-Methylxanthine

98%

Synonym(s):

2,6-Dihydroxy-3-methylpurine

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About This Item

Empirical Formula (Hill Notation):
C6H6N4O2
CAS Number:
1076-22-8
Molecular Weight:
166.14
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24853339
EC Number:
214-058-1
Beilstein/REAXYS Number:
180944
MDL number:
MFCD00005580
Assay:
98%
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Quality Segment

200

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

rat ... Adora1(29290), Adora2a(25369)

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

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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