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Substance Name: Cycloheptaneacetic acid, 2-(dimethylamino)ethyl ester, (E)-2-butenedioate (1:1)
RN: 129320-13-4
InChIKey: ADRXUDOECUCYFV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H25-N-O2.C4-H4-O4

Molecular Weight

  • 343.4171
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)ethyl cycloheptaneacetate (E)-2-butenedioate (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 129320-13-4

System Generated Number

  • 0129320134

Molecular Formulas

Molecular Formula

  • C13-H25-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H25-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H25NO2.C4H4O4/c1-14(2)9-10-16-13(15)11-12-7-5-3-4-6-8-12;5-3(6)1-2-4(7)8/h12H,3-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ADRXUDOECUCYFV-WLHGVMLRSA-N

Smiles

CN(C)CCOC(=O)CC1CCCCCC1.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 113mg/kg (113mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.