Basic Information |
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Product Name: | THEOBROMINE, [8-14C]- |
English Synonyms: | THEOBROMINE, [8-14C]- |
MDL Number.: | MFCD01075798 |
H bond acceptor: | 6 |
H bond donor: | 1 |
Smile: | Cn1[14cH]nc2c1c(=O)[nH]c(=O)n2C |
InChi: | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i3+2 |
InChiKey: | InChIKey=YAPQBXQYLJRXSA-YZRHJBSPSA-N |
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