THEOPHYLLINE (2-13C, 1,3-15N2)

pro_cas
pro_cdbregno
CCD00072341
pro_formula
C7 H8 N4 O2
pro_molWeight
183.141

basic_info

Product_Name: THEOPHYLLINE (2-13C, 1,3-15N2)
EnglishSynonyms: THEOPHYLLINE (2-13C, 1,3-15N2)
pro_mdlNumber: MFCD00145397
pro_acceptors: 6
pro_donors: 1
pro_smile: C[15n]1c2c(c(=O)[15n]([13c]1=O)C)[nH]cn2
InChi: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i7+1,10+1,11+1
InChiKey: InChIKey=ZFXYFBGIUFBOJW-NBLDSOAPSA-N

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