Chem
J-GLOBAL ID：200907091800515128   Nikkaji number：J1.723.208H

AJ-9677

AJ-9677
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： C21H23ClN2O4
Molecular formula furigana： C21-H23-CL-N2-O4
Molecular weight： 402.880
InChI： InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1
InChI key： FHEYFIGWYQJVDR-ACJLOTCBSA-N
SMILES： C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1
Systematic name  (4)：
  • [[3-[(R)-2-[[(R)-β-ヒドロキシ-3-クロロフェネチル]アミノ]プロピル]-1H-インドール-7-イル]オキシ]酢酸
  • 3-[(2R)-2-[[(R)-β-ヒドロキシ-3-クロロフェネチル]アミノ]プロピル]-1H-インドール-7-イルオキシ酢酸
  • 2-({3-[(2R)-2-{[(2R)-2-(3-クロロフェニル)-2-ヒドロキシエチル]アミノ}プロピル]-1H-インドール-7-イル}オキシ)酢酸
  • 2-({3-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-1H-indol-7-yl}oxy)acetic acid
Other name (3)：
  • [[3-[(R)-2-[[(R)-β-Hydroxy-3-chlorophenethyl]amino]propyl]-1H-indole-7-yl]oxy]acetic acid
  • AJ-9677
  • 3-[(2R)-2-[[(R)-β-Hydroxy-3-chlorophenethyl]amino]propyl]-1H-indole-7-yloxyacetic acid
Thsaurus map：
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