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Substance Name: 2-(3,4-Dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide
RN: 155512-49-5
InChIKey: BNAKCEFXXMHXDQ-OAQYLSRUSA-N

Note

  • Kappa opioid receptor antagonist.

Molecular Formula

  • C22-H23-Cl2-N3-O-S

Molecular Weight

  • 448.416
 
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Names and Synonyms

Name of Substance

  • 2-(3,4-Dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide

Synonyms

  • (S)-3,4-Dichloro-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-N-methylbenzeneacetamide
  • DIPPA

Systematic Name

  • Benzeneacetamide, 3,4-dichloro-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)-N-methyl-, (S)-

Registry Numbers

CAS Registry Number

  • 155512-49-5

System Generated Number

  • 0155512495

Structure Descriptors

InChI

1S/C22H23Cl2N3OS/c1-26(22(28)12-16-7-8-19(23)20(24)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)25-15-29/h4-8,11,13,21H,2-3,9-10,12,14H2,1H3/t21-/m1/s1

InChIKey

BNAKCEFXXMHXDQ-OAQYLSRUSA-N

Smiles

c1ccc(cc1[C@@H](CN1CCCC1)N(C(Cc1cc(c(cc1)Cl)Cl)=O)C)N=C=S