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Substance Name: 2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, ethanedioate (1:2)
RN: 129320-18-9
InChIKey: KYWHQAWBTMBGBM-CUKDSWIPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-Cl-N2-O5.C4-H4-O8

Molecular Weight

  • 564.9251
 
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Names and Synonyms

  • 2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 129320-18-9

System Generated Number

  • 0129320189

Molecular Formulas

Molecular Formula

  • C18-H25-Cl-N2-O5.C4-H4-O8

Molecular Formula Fragments

  • C18-H25-Cl-N2-O5
  • C4-H4-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25ClN2O5.2C2H2O4/c1-20(2)9-11-24-17(22)13-16(18(23)25-12-10-21(3)4)26-15-7-5-14(19)6-8-15;2*3-1(4)2(5)6/h5-8,13H,9-12H2,1-4H3;2*(H,3,4)(H,5,6)/b16-13-;;

InChIKey

KYWHQAWBTMBGBM-CUKDSWIPSA-N

Smiles

CN(C)CCOC(=O)/C=C(/C(=O)OCCN(C)C)\Oc1ccc(cc1)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.