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Substance Name: 1,3-Benzodioxole-2-acetic acid, 2-methyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate
RN: 51140-23-9
InChIKey: VHVLWKPUQQRDGK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O5.C6-H10-O5

Molecular Weight

  • 529.536
 
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Names and Synonyms

Synonyms

  • 2-(2-Diethylaminoethoxy)ethyl 2-methyl-1,3-benzodioxole-2-acetate citrate
  • 2-Methyl-1,3-benzodioxole-2-acetic acid 2-(2-diethylaminoethoxy)ethyl ester

Systematic Name

  • 1,3-Benzodioxole-2-acetic acid, 2-methyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate

Registry Numbers

CAS Registry Number

  • 51140-23-9

System Generated Number

  • 0051140239

Molecular Formulas

Molecular Formula

  • C18-H27-N-O5.C6-H10-O5

Molecular Formula Fragments

  • C18-H27-N-O5
  • C6-H10-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO5.C6H8O7/c1-4-19(5-2)10-11-21-12-13-22-17(20)14-18(3)23-15-8-6-7-9-16(15)24-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9H,4-5,10-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

VHVLWKPUQQRDGK-UHFFFAOYSA-N

Smiles

C1(Oc2c(cccc2)O1)(CC(OCCOCCN(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 720mg/kg (720mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.
rat LD50 intravenous 14mg/kg (14mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 539, 1976.