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Substance Name: Cyclopentaneacetic acid, alpha-butyl-, 2-(dimethylamino)ethyl ester, (E)-2-butenedioate (1:1)
RN: 129344-92-9
InChIKey: UCVPDWGSPZBNEO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H29-N-O2.C4-H4-O4

Molecular Weight

  • 371.4707
 
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Names and Synonyms

Synonym

  • 2-(Dimethylamino)ethyl alpha-butylcyclopentaneacetate (E)-2-butenedioate (1:1)

Systematic Name

  • Cyclopentaneacetic acid, alpha-butyl-, 2-(dimethylamino)ethyl ester, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 129344-92-9

System Generated Number

  • 0129344929

Molecular Formulas

Molecular Formula

  • C15-H29-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C15-H29-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H29NO2.C4H4O4/c1-4-5-10-14(13-8-6-7-9-13)15(17)18-12-11-16(2)3;5-3(6)1-2-4(7)8/h13-14H,4-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

UCVPDWGSPZBNEO-WLHGVMLRSA-N

Smiles

CCCCC(C1CCCC1)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 91mg/kg (91mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1278, 1990.