Chem
J-GLOBAL ID：200907094853715276   Nikkaji number：J2.775.239J

IACI

N-[(9R)-9-ヒドロキシ-10,11-ジヒドロシンコナン-8′-イル]-4-アジド-5-(125I)ヨード-2-ヒドロキシベンズアミド
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： C26H27[125I]N4[N-][N+]O3
Molecular formula furigana： C26-H27-I-N6-O3
Molecular weight： 596.446
InChI： InChI=1S/C26H27IN6O3/c1-2-14-13-33-9-7-15(14)10-22(33)25(35)17-6-8-29-24-16(17)4-3-5-20(24)30-26(36)18-11-19(27)21(31-32-28)12-23(18)34/h3-6,8,11-12,14-15,22,25,34-35H,2,7,9-10,13H2,1H3,(H,30,36)/t14-,15-,22+,25+/m0/s1/i27-2
InChI key： VWFWJPJMAFRNET-XABLPHFZSA-N
SMILES： CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2c(NC(=O)c3cc([125I])c(cc3O)N=[N+]=[N-])cccc12
Systematic name  (3)：
  • N-[(9R)-9-ヒドロキシ-10,11-ジヒドロシンコナン-8′-イル]-4-アジド-5-(125I)ヨード-2-ヒドロキシベンズアミド
  • 4-アジド-N-{4-[(R)-[(2R,4S,5R)-5-エチル-1-アザビシクロ[2.2.2]オクタン-2-イル](ヒドロキシ)メチル]キノリン-8-イル}-2-ヒドロキシ-5-(125I)ヨードベンズアミド
  • 4-azido-N-{4-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](hydroxy)methyl]quinolin-8-yl}-2-hydroxy-5-(125I)iodobenzamide
Other name (2)：
  • N-[(9R)-9-Hydroxy-10,11-dihydrocinchonan-8′-yl]-4-azido-5-(125I)iodo-2-hydroxybenzamide
  • IACI
KEGG COMPOUND： C11600
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