Chem
J-GLOBAL ID：201407058807742319   Nikkaji number：J3.255.233A

VER-155008

VER-155008
Substance type：
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
Molecular formula： C25H23Cl2N7O4
Molecular formula furigana： C25-H23-CL2-N7-O4
Molecular weight： 556.400
InChI： InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
InChI key： ZXGGCBQORXDVTE-UMCMBGNQSA-N
SMILES： Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12
Systematic name  (4)：
  • 8-[(3,4-ジクロロベンジル)アミノ]-5′-O-(4-シアノベンジル)アデノシン
  • 5′-O-(4-シアノフェニル)メチル-8-[(3,4-ジクロロフェニル)メチル]アミノアデノシン
  • 4-({[(2R,3S,4R,5R)-5-(6-アミノ-8-{[(3,4-ジクロロフェニル)メチル]アミノ}-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}メチル)ベンゾニトリル
  • 4-({[(2R,3S,4R,5R)-5-(6-amino-8-{[(3,4-dichlorophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}methyl)benzonitrile
Other name (3)：
  • 8-[(3,4-Dichlorobenzyl)amino]-5′-O-(4-cyanobenzyl)adenosine
  • VER-155008
  • 5′-O-(4-Cyanophenyl)methyl-8-[(3,4-dichlorophenyl)methyl]aminoadenosine
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