Chem
J-GLOBAL ID：200907095033833807   Nikkaji number：J692.082I

α-CIT

3α-(4-ヨードフェニル)トロパン-2α-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+/m0/s1
InChI key： SIIICDNNMDMWCI-OOJKYFRXSA-N
SMILES： COC(=O)[C@H]1C2CCC(C[C@H]1c1ccc(I)cc1)N2C
Systematic name  (3)：
  • 3α-(4-ヨードフェニル)トロパン-2α-カルボン酸メチル
  • メチル (2R,3R)-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 (2R,3R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (2)：
  • α-CIT
  • 3α-(4-Iodophenyl)tropane-2α-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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