Chem
J-GLOBAL ID：200907094751822949   Nikkaji number：J565.637K

SR-140333

SR-140333
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： C37H45Cl2N[N+]O2
Molecular formula furigana： C37-H45-CL2-N2-O2
Molecular weight： 620.680
InChI： InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1
InChI key： RPDFDSQFBCJTDY-GAQXSTBRSA-N
SMILES： CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]34CCC(CC3)(CC4)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1
Systematic name  (4)：
  • 1-[2-[(3S)-3-(3,4-ジクロロフェニル)-1-(3-イソプロポキシフェニルアセチル)-3-ピペリジニル]エチル]-4-フェニル-1-アゾニアビシクロ[2.2.2]オクタン
  • 1-[2-[(3S)-3-(3,4-ジクロロフェニル)-1-[[3-(1-メチルエトキシ)フェニル]アセチル]-3-ピペリジニル]エチル]-4-フェニル-1-アゾニアビシクロ[2.2.2]オクタン
  • 1-{2-[(3S)-3-(3,4-ジクロロフェニル)-1-{2-[3-(プロパン-2-イルオキシ)フェニル]アセチル}ピペリジン-3-イル]エチル}-4-フェニル-1-アザビシクロ[2.2.2]オクタン-1-イウム
  • 1-{2-[(3S)-3-(3,4-dichlorophenyl)-1-{2-[3-(propan-2-yloxy)phenyl]acetyl}piperidin-3-yl]ethyl}-4-phenyl-1-azabicyclo[2.2.2]octan-1-ium
Other name (5)：
  • 1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-(3-isopropoxyphenylacetyl)-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane
  • SR-140333
  • 1-[2-[(3S)-3-(3,4-Dichlorophenyl)-1-[[3-(1-methylethoxy)phenyl]acetyl]-3-piperidinyl]ethyl]-4-phenyl-1-azoniabicyclo[2.2.2]octane
  • ノルピタンチウム
  • Nolpitantium
CAS registry number： 155418-05-6
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