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Substance Name: Hexanoic acid, 2-ethyl-2-methyl-, 2-pyridylmethyl ester, hydrochloride
RN: 42023-73-4
InChIKey: YICNJJUGDAGYBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Weight

  • 285.813
 
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Names and Synonyms

Synonyms

  • 2-Pyridylmethyl alpha-ethyl-alpha-methylhexanoate hydrochloride
  • F 1218
  • Methanol, 2-pyridyl-, alpha-ethyl-alpha-methylhexanoate hydrochloride

Systematic Name

  • Hexanoic acid, 2-ethyl-2-methyl-, 2-pyridylmethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 42023-73-4

System Generated Number

  • 0042023734

Molecular Formulas

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO2.ClH/c1-4-6-10-15(3,5-2)14(17)18-12-13-9-7-8-11-16-13;/h7-9,11H,4-6,10,12H2,1-3H3;1H

InChIKey

YICNJJUGDAGYBB-UHFFFAOYSA-N

Smiles

C([C@@](CCCC)(CC)C)(OCc1cccc[n+]1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2400mg/kg (2400mg/kg)   Chimica Therapeutica. Vol. 8, Pg. 297, 1973.