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Substance Name: Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 3-(dimethylamino)propyl ester
RN: 53206-87-4
InChIKey: QGHFKHLAYNXMED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N-O5

Molecular Weight

  • 351.44
 
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Names and Synonyms

Synonyms

  • BRN 2773601
  • p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, methyl ester

Systematic Name

  • Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 3-(dimethylamino)propyl ester

Registry Numbers

CAS Registry Number

  • 53206-87-4

System Generated Number

  • 0053206874

Structure Descriptors

InChI

1S/C19H29NO5/c1-13(2)15-9-8-14(3)17(19(22)23-6)18(15)25-12-16(21)24-11-7-10-20(4)5/h8-9,13H,7,10-12H2,1-6H3

InChIKey

QGHFKHLAYNXMED-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C(C)C)C)C(OC)=O)OCC(OCCCN(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.