Chem
J-GLOBAL ID:200907033702900773
Nikkaji number:J2.566.883I
(1β,5β)-3β-(4-Iodophenyl)-8-(11 C)methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid methyl ester
(1β,5β)-3β-(4-ヨードフェニル)-8-(11 C)メチル-8-アザビシクロ[3.2.1]オクタン-2β-カルボン酸メチル
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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:
C15 [11 C]H20 INO2
Molecular formula furigana:
C16-H20-I-N-O2
Molecular weight:
384.246
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/i1-1
InChI key:
SIIICDNNMDMWCI-DAVRTETJSA-N
SMILES:
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2[11CH3]
Systematic name (3):
(1β,5β)-3β-(4-ヨードフェニル)-8-(11 C)メチル-8-アザビシクロ[3.2.1]オクタン-2β-カルボン酸メチル
メチル (1R,2S,3S,5S)-3-(4-ヨードフェニル)-8-(11 C)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 (1R,2S,3S,5S)-3-(4-iodophenyl)-8-(11 C)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (1):
(1β,5β)-3β-(4-Iodophenyl)-8-(11 C)methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid methyl ester
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