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Substance Name: 3,4-Dichloro-N-methyl-N-(3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-7-yl)benzeneacetamide
RN: 141269-53-6
InChIKey: AIGXNGMYDUNNBN-UHFFFAOYSA-N

Note

  • Binds to kappa opioid receptor.

Molecular Formula

  • C23-H28-Cl2-N2-O3

Molecular Weight

  • 451.391
 
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Names and Synonyms

Name of Substance

  • 3,4-Dichloro-N-methyl-N-(3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-7-yl)benzeneacetamide

Synonyms

  • (5alpha,7alpha,8beta)-(+)(-)-Smbu-1
  • (5alpha,7beta,8alpha)-(+)(-)-Smbu-1
  • Smbu-1

Systematic Name

  • Benzeneacetamide, 3,4-dichloro-N-methyl-N-(3-methylene-2-oxo-8-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-7-yl)-, (5alpha,7alpha,8beta)-(+-)-

Registry Numbers

CAS Registry Number

  • 141269-53-6

System Generated Number

  • 0141269536

Structure Descriptors

InChI

1S/C23H28Cl2N2O3/c1-15-13-23(30-22(15)29)8-7-19(27-9-3-4-10-27)20(14-23)26(2)21(28)12-16-5-6-17(24)18(25)11-16/h5-6,11,19-20H,1,3-4,7-10,12-14H2,2H3

InChIKey

AIGXNGMYDUNNBN-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)Cl)Cl)CC(=O)N([C@@H]1C[C@@]2(CC(C(O2)=O)=C)CC[C@@H]1N1CCCC1)C