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Substance Name: 1-(4-Chlorophenyl)-4,4-dimethyl-5-diethylamino-1-penten-3-one
RN: 121229-92-3
InChIKey: ZZTWZYLOIUBESQ-NBYYMMLRSA-N

Note

  • Reacts irreversibly with protein thiols but reversibly with small molecular weight thiols; its conjugation to glutathione is catalyzed selectively by alpha-class glutathione S-transferase.

Molecular Formula

  • C17-H24-Cl-N-O.Br-H

Molecular Weight

  • 374.747
 
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Names and Synonyms

Name of Substance

  • 1-(4-Chlorophenyl)-4,4-dimethyl-5-diethylamino-1-penten-3-one

Synonyms

  • 1-(4-Chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide
  • 1-Cddpo

Systematic Name

  • 1-Penten-3-one, 1-(4-chlorophenyl)-5-(diethylamino)-4,4-dimethyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 121229-92-3

System Generated Number

  • 0121229923

Molecular Formulas

Molecular Formula

  • C17-H24-Cl-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H24-Cl-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C17H24ClNO.BrH/c1-5-19(6-2)13-17(3,4)16(20)12-9-14-7-10-15(18)11-8-14;/h7-12H,5-6,13H2,1-4H3;1H/b12-9+;

InChIKey

ZZTWZYLOIUBESQ-NBYYMMLRSA-N

Smiles

C(=C\C(C(CN(CC)CC)(C)C)=O)\c1ccc(cc1)Cl.Br