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Caffeine
- CAS No. : 58-08-2
- Molecular Formula : C8H10N4O2
- Mol. Wt. : 194.2
- Other Technical Details :
1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione ; 1,3,7-Trimethylxanthine ; 7-Methyltheophylline
- Product Stock Status : Under Synthesis
- Catalog Number: CCR-CAF-001
- Smiles: O=C(N1C)C(N2C)=C(N=C2)N(C)C1=O
- Inchi: InChI=1S/C12H22O11.H2O/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12;/h5-14,16-21H,1-3H2;1H2/t5-,6-,7-,8-,9-,10+,11-,12+;/m1./s1
- Synonym: Theophylline EP Impurity A ; Pentoxifylline EP Impurity F
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