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Substance Name: Choline, salt with 2-propylvaleric acid (1:1)
RN: 13943-50-5
InChIKey: HEFRTMGTYPWNOT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-O2.C5-H14-N-O

Molecular Weight

  • 248.384
 
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Names and Synonyms

Synonyms

  • Choline alpha,alpha-dipropylacetate
  • Dipropylacetate de choline
  • Dipropylacetate de choline [French]
  • DPA choline

Systematic Names

  • Choline, salt with 2-propylvaleric acid (1:1)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-propylpentanoic acid (1:1) (9CI)

Registry Numbers

CAS Registry Number

  • 13943-50-5

System Generated Number

  • 0013943505

Molecular Formulas

Molecular Formula

  • C8-H15-O2.C5-H14-N-O

Molecular Formula Fragments

  • C5-H14-N-O
  • C8-H15-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C8H16O2.C5H14NO/c1-3-5-7(6-4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1

InChIKey

HEFRTMGTYPWNOT-UHFFFAOYSA-N

Smiles

C(=O)(O)C(CCC)CCC.[N+](CCO)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1300mg/kg (1300mg/kg)   "Pharmacodynamie de l'Acide Dipropylacetique Vol. -, Pg. 261, 1968.
mouse LD50 intraperitoneal 529mg/kg (529mg/kg)   "Pharmacodynamie de l'Acide Dipropylacetique Vol. -, Pg. 261, 1968.
mouse LD50 oral 1513mg/kg (1513mg/kg)   "Pharmacodynamie de l'Acide Dipropylacetique Vol. -, Pg. 261, 1968.