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Substance Name: 2-Butenedioic acid, 2-(4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl)ester, (Z)-, (Z)-2-butenedioate (1:2)
RN: 129320-19-0
InChIKey: WHEAJFJHQPTUEP-VWLJOHICSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-Cl-N2-O5.C8-H8-O8

Molecular Weight

  • 617.0007
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 129320-19-0

System Generated Number

  • 0129320190

Molecular Formulas

Molecular Formula

  • C18-H25-Cl-N2-O5.C8-H8-O8

Molecular Formula Fragments

  • C18-H25-Cl-N2-O5
  • C8-H8-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25ClN2O5.2C4H4O4/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*5-3(6)1-2-4(7)8/h5-8,13H,9-12H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b16-13-;2*2-1+

InChIKey

WHEAJFJHQPTUEP-VWLJOHICSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 136mg/kg (136mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.