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Substance Name: Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)
RN: 129320-06-5
InChIKey: OLZCKDDLACXUKE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-N-O2.C4-H4-O4

Molecular Weight

  • 317.3793
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)ethyl heptanoate (Z)-2-butenedioate (1:1)

Systematic Name

  • Heptanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129320-06-5

System Generated Number

  • 0129320065

Molecular Formulas

Molecular Formula

  • C11-H23-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C11-H23-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H23NO2.C4H4O4/c1-4-5-6-7-8-11(13)14-10-9-12(2)3;5-3(6)1-2-4(7)8/h4-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OLZCKDDLACXUKE-WLHGVMLRSA-N

Smiles

CCCCCCC(=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 237mg/kg (237mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.