Chem
J-GLOBAL ID：200907097069373210   Nikkaji number：J2.651.653F

N-(4-Chlorophenyl)carbamic acid [(3S)-3α,4β,5α-trihydroxy-6β-(hydroxymethyl)piperidine]-2-ylideneamino ester

N-(4-クロロフェニル)カルバミド酸[(3S)-3α,4β,5α-トリヒドロキシ-6β-(ヒドロキシメチル)ピペリジン]-2-イリデンアミノ
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： C13H16ClN3O6
Molecular formula furigana： C13-H16-CL-N3-O6
Molecular weight： 345.740
InChI： InChI=1S/C13H16ClN3O6/c14-6-1-3-7(4-2-6)15-13(22)23-17-12-11(21)10(20)9(19)8(5-18)16-12/h1-4,8-11,18-21H,5H2,(H,15,22)(H,16,17)/t8-,9-,10+,11-/m1/s1
InChI key： TZXVKBJPSZOBNV-CHWFTXMASA-N
SMILES： OC[C@H]1NC(=NOC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • N-(4-クロロフェニル)カルバミド酸[(3S)-3α,4β,5α-トリヒドロキシ-6β-(ヒドロキシメチル)ピペリジン]-2-イリデンアミノ
  • [(3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)ピペリジン-2-イリデン]アミノ N-(4-クロロフェニル)カルバマート
  • [(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino N-(4-chlorophenyl)carbamate
Other name (1)：
  • N-(4-Chlorophenyl)carbamic acid [(3S)-3α,4β,5α-trihydroxy-6β-(hydroxymethyl)piperidine]-2-ylideneamino ester
Thsaurus map：
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