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:
Molecular Weight:
166.14
Beilstein:
180944
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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)
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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 Code
11 - Combustible Solids
WGK
WGK 1
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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