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Substance Name: Butanedioic acid, (4-chlorophenoxy)-, bis(2-(dimethylamino)ethyl) ester, ethanedioate (1:2)
RN: 129320-22-5
InChIKey: NTUBORDCJVSAHN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-Cl-N2-O5.C8-H8-O8

Molecular Weight

  • 566.9409
 
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Names and Synonyms

Synonym

  • Bis(2-(dimethylamino)ethyl) (4-chlorophenoxy)butanedioate ethanedioate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129320-22-5

System Generated Number

  • 0129320225

Molecular Formulas

Molecular Formula

  • C18-H27-Cl-N2-O5.C8-H8-O8

Molecular Formula Fragments

  • C18-H27-Cl-N2-O5
  • C8-H8-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27ClN2O5.2C2H2O4/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/h5-8,16H,9-13H2,1-4H3;2*(H,3,4)(H,5,6)

InChIKey

NTUBORDCJVSAHN-UHFFFAOYSA-N

Smiles

CN(C)CCOC(=O)CC(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 oral 480mg/kg (480mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.