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IB-MECA

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Name: IB-MECA
CAS: 152918-18-8
Synonyms: 1-DEOXY-1-[6-[((3-IODOPHENYL)METHYL)AMINO]-9H-PURIN-9-YL]-N-METHYL-BETA-D-RIBOFURANURONAMIDE ; IB-MECA ; N6-(3-IODOBENZYL)ADENOSINE-5'-N-METHYLURONAMIDE
MDL.: MFCD00671785
H bond acceptor: 10
H bond donor: 4
Smile: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3NCc4cccc(c4)I)O)O
InChi: InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
InChiKey: InChIKey=HUJXGQILHAUCCV-MOROJQBDSA-N

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