Chem
J-GLOBAL ID：200907037806741249   Nikkaji number：J568.519B

(1S)-β-CIT

(1S,5R)-3β-(4-ヨードフェニル)トロパン-2β-カルボン酸メチル
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： C16H20INO2
Molecular formula furigana： C16-H20-I-N-O2
Molecular weight： 385.245
InChI： InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14+,15+/m1/s1
InChI key： SIIICDNNMDMWCI-KBXIAJHMSA-N
SMILES： COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C
Systematic name  (4)：
  • (1S,5R)-3β-(4-ヨードフェニル)トロパン-2β-カルボン酸メチル
  • (1S,5R)-2β-(メトキシカルボニル)-3β-(4-ヨードフェニル)-8-メチル-8-アザビシクロ[3.2.1]オクタン
  • メチル (1S,2S,3S,5R)-3-(4-ヨードフェニル)-8-メチル-8-アザビシクロ[3.2.1]オクタン-2-カルボキシラート
  • methyl (1S,2S,3S,5R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (3)：
  • (1S)-β-CIT
  • (1S,5R)-3β-(4-Iodophenyl)tropane-2β-carboxylic acid methyl ester
  • (1S,5R)-2β-(Methoxycarbonyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
Thsaurus map：
Thesaurus Map

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