Chem
J-GLOBAL ID：200907011650105755
Nikkaji number：J626.443C
Cl-IB-MECA
Cl-IB-MECA
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C18H18ClIN6O4
Molecular formula furigana： C18-H18-CL-I-N6-O4
Molecular weight： 544.730
InChI：
InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
InChI key：
IPSYPUKKXMNCNQ-PFHKOEEOSA-N
SMILES：
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Systematic name (16)：
- N-メチル-1-[2-クロロ-6-(3-ヨードベンジル)アミノ-9H-プリン-9-イル]-1-デオキシ-β-D-リボフラヌロンアミド
- 2-クロロ-N-(3-ヨードベンジル)-5′-(メチルアミノ)-5′-デオキシ-5′-オキソアデノシン
- N-(3-ヨードベンジル)-2-クロロ-5′-オキソ-5′-(メチルアミノ)-5′-デオキシアデノシン
- 2-クロロ-N-(3-ヨードベンジル)-5′-(メチルアミノ)-5′-オキソ-5′-デオキシアデノシン
- 2-クロロ-N-(3-ヨードベンジル)-5′-オキソ-5′-(メチルアミノ)-5′-デオキシアデノシン
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- 2-Chloro-N-(3-iodobenzyl)-5′-oxo-5′-(methylamino)-5′-deoxyadenosine
- 2-Chloro-5′-(methylamino)-N-(3-iodobenzyl)-5′-oxo-5′-deoxyadenosine
- N-(3-Iodobenzyl)-2-chloro-5′-(methylamino)-5′-oxo-5′-deoxyadenosine
- 2-Chloro-N-(3-iodobenzyl)-5′-deoxy-5′-oxo-5′-(methylamino)adenosine
- N-(3-Iodobenzyl)-2-chloro-5′-(methylamino)-5′-deoxy-5′-oxoadenosine
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