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Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-methyl-, 2-diethylaminoethyl ester, citrate
RN: 50836-12-9
InChIKey: XGYJPDGPSTWMTO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O4.C6-H10-O5

Molecular Weight

  • 485.483
 
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Names and Synonyms

Synonyms

  • 2-Diethylaminoethyl 2-methyl-1,3-benzodioxole-2-acetate citrate
  • 2-Methyl-1,3-benzodioxole-2-acetic acid 2-diethylaminoethyl ester

Systematic Name

  • 1,3-Benzodioxole-2-acetic acid, 2-methyl-, 2-diethylaminoethyl ester, citrate

Registry Numbers

CAS Registry Number

  • 50836-12-9

System Generated Number

  • 0050836129

Molecular Formulas

Molecular Formula

  • C16-H23-N-O4.C6-H10-O5

Molecular Formula Fragments

  • C16-H23-N-O4
  • C6-H10-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO4.C6H8O7/c1-4-17(5-2)10-11-19-15(18)12-16(3)20-13-8-6-7-9-14(13)21-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,4-5,10-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

XGYJPDGPSTWMTO-UHFFFAOYSA-N

Smiles

C1(Oc2c(O1)cccc2)(CC(OCCN(CC)CC)=O)C.C(CC(CC(O)=O)(C(=O)O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 53, 1976.
rat LD50 intravenous 12mg/kg (12mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.