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Substance Name: Propanoic acid, 2,2-dimethyl-, 2-(dimethylamino)ethyl ester, (E)-2-butenedioate (1:1)
RN: 129320-05-4
InChIKey: JOLCGXIUOXZNMR-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H19-N-O2.C4-H4-O4

Molecular Weight

  • 289.3257
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)ethyl 2,2-dimethylpropanoate (E)-2-butenedioate (1:1)

Systematic Name

  • Propanoic acid, 2,2-dimethyl-, 2-(dimethylamino)ethyl ester, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129320-05-4

System Generated Number

  • 0129320054

Molecular Formulas

Molecular Formula

  • C9-H19-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C9-H19-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H19NO2.C4H4O4/c1-9(2,3)8(11)12-7-6-10(4)5;5-3(6)1-2-4(7)8/h6-7H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JOLCGXIUOXZNMR-WLHGVMLRSA-N

Smiles

CC(C)(C)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=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.