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Substance Name: GR 89696
RN: 126766-32-3
InChIKey: ABTNETSDXZBJTE-WLHGVMLRSA-N

Note

  • A potent & selective kappa opioid receptor agonist; GR 103545 is the (R)-isomer.

Molecular Formula

  • C19-H25-Cl2-N3-O3.C4-H4-O4

Molecular Weight

  • 530.402
 
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Names and Synonyms

Name of Substance

  • GR 89696

Synonyms

  • 1-((3,4-Dichlorophenyl)acetyl)-4-acetyl-2-(1-pyrrolidinylmethyl)piperazine
  • GR 103545
  • GR 85571
  • GR-89696
  • Methyl 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate fumarate

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 126766-32-3

System Generated Number

  • 0126766323

Molecular Formulas

Molecular Formula

  • C19-H25-Cl2-N3-O3.C4-H4-O4

Molecular Formula Fragments

  • C19-H25-Cl2-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ABTNETSDXZBJTE-WLHGVMLRSA-N

Smiles

N1(CCN([C@@H](C1)CN1CCCC1)C(=O)Cc1cc(c(cc1)Cl)Cl)C(=O)OC.C(\C=C\C(O)=O)(O)=O