Chem
J-GLOBAL ID：200907052750730280   Nikkaji number：J866.508G

(1S,2R)-Erythrohydrobupropion

(1S,2R)-エリトロヒドロブプロピオン
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： C13H20ClNO
Molecular formula furigana： C13-H20-CL-N-O
Molecular weight： 241.760
InChI： InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12-/m1/s1
InChI key： NDPTTXIBLSWNSF-BXKDBHETSA-N
SMILES： C[C@@H](NC(C)(C)C)[C@@H](O)c1cccc(Cl)c1
Systematic name  (4)：
  • (1S,2R)-1-(3-クロロフェニル)-2-(tert-ブチルアミノ)-1-プロパノール
  • (1S,2R)-2-(tert-ブチルアミノ)-1-(3-クロロフェニル)-1-プロパノール
  • (1S,2R)-2-(tert-ブチルアミノ)-1-(3-クロロフェニル)プロパン-1-オール
  • (1S,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
Other name (4)：
  • (1S,2R)-1-(3-Chlorophenyl)-2-(tert-butylamino)-1-propanol
  • (1S,2R)-2-(tert-Butylamino)-1-(3-chlorophenyl)-1-propanol
  • (1S,2R)-エリトロヒドロブプロピオン
  • (1S,2R)-Erythrohydrobupropion
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