Chem
J-GLOBAL ID：200907073557611697   Nikkaji number：J366.137G

β-CIT

β-CIT
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-/m0/s1
InChI key： SIIICDNNMDMWCI-YJNKXOJESA-N
SMILES： COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C
Systematic name  (8)：
  • (1R,5S)-2β-メトキシカルボニル-3β-(4-ヨードフェニル)トロパン
  • (1R,5S)-3β-(4-ヨードフェニル)トロパン-2β-カルボン酸メチル
  • (1R,2S,3S,5S)-3-(4-ヨードフェニル)トロパン-2-カルボン酸メチル
  • (1R,2S,3S,5S)-8-メチル-3-(4-ヨードフェニル)-8-アザビシクロ[3.2.1]オクタン-2-カルボン酸メチル
  • (1β,5β)-3β-(4-ヨードフェニル)トロパン-2β-カルボン酸メチル
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Other name (13)：
  • (1R,5S)-2β-Methoxycarbonyl-3β-(4-iodophenyl)tropane
  • β-CIT
  • (1R,5S)-3β-(4-Iodophenyl)tropane-2β-carboxylic acid methyl ester
  • (1R,2S,3S,5S)-3-(4-Iodophenyl)tropane-2-carboxylic acid methyl ester
  • (1R,2S,3S,5S)-8-Methyl-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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CAS registry number： 135416-43-2
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