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Substance Name: E 3800
RN: 150433-16-2
InChIKey: KBWFWZRYQGXZQJ-BLDCTAJRSA-N

Note

  • A derivative of DuP 747; a kappa agonist.

Molecular Formula

  • C23-H26-Cl2-N2-O2.H3-O4-P

Molecular Weight

  • 531.37
 
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Names and Synonyms

Name of Substance

  • E 3800

Synonyms

  • 3,4-Dichloro-N-methyl-N-(1,2,3,4-tetrahydro-6-hydroxy-2-(pyrrolidin-1-yl)naphth-1-yl)benzeneacetamide
  • E-3800
  • E3800

Systematic Names

  • Benzeneacetamide, 3,4-dichloro-N-methyl-N-((1R,2R)-1,2,3,4-tetrahydro-6-hydroxy-2-(1-pyrrolidinyl)-1-naphthalenyl)-, rel-, phosphate (1:1) (salt)
  • Benzeneacetamide, 3,4-dichloro-N-methyl-N-(1,2,3,4-tetrahydro-6-hydroxy-2-(1-pyrrolidinyl)-1-naphthalenyl)-, trans-(+-)-, phosphate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 150433-16-2

System Generated Number

  • 0150433162

Molecular Formulas

Molecular Formula

  • C23-H26-Cl2-N2-O2.H3-O4-P

Molecular Formula Fragments

  • C23-H26-Cl2-N2-O2
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C23H26Cl2N2O2.H3O4P/c1-26(22(29)13-15-4-8-19(24)20(25)12-15)23-18-7-6-17(28)14-16(18)5-9-21(23)27-10-2-3-11-27;1-5(2,3)4/h4,6-8,12,14,21,23,28H,2-3,5,9-11,13H2,1H3;(H3,1,2,3,4)/t21-,23-;/m1./s1

InChIKey

KBWFWZRYQGXZQJ-BLDCTAJRSA-N

Smiles

P(=O)(O)(O)O.c1(cc(c(cc1)Cl)Cl)CC(=O)N([C@H]1[C@@H](CCc2cc(ccc12)O)N1CCCC1)C