Chem
J-GLOBAL ID：200907003492903948   Nikkaji number：J497.064K

RTI-121

RTI-121
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： C18H24INO2
Molecular formula furigana： C18-H24-I-N-O2
Molecular weight： 413.299
InChI： InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14-,15+,16+,17-/m0/s1
InChI key： ZAQLTGAFVMGUMB-HZMVEIRTSA-N
SMILES： CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)N2C
Systematic name  (4)：
  • (1β,5β)-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-2β-カルボン酸イソプロピル
  • (1R,5S)-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-2β-カルボン酸イソプロピル
  • プロパン-2-イル (1R,2S,3S,5S)-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
  • propan-2-yl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (3)：
  • (1R,5S)-3β-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid isopropyl ester
  • RTi-121
  • RTI-121
CAS registry number： 146145-21-3
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