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Substance Name: Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 3-(dimethylamino)propyl ester
RN: 53251-82-4
InChIKey: RKBPFDSABQZWQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O5

Molecular Weight

  • 365.467
 
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Names and Synonyms

Synonyms

  • BRN 2774710
  • p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, ethyl ester

Systematic Name

  • Acetic acid, (2-ethoxycarbonyl-6-isopropyl-3-methyl)phenoxy-, 3-(dimethylamino)propyl ester

Registry Numbers

CAS Registry Number

  • 53251-82-4

System Generated Number

  • 0053251824

Structure Descriptors

InChI

1S/C20H31NO5/c1-7-24-20(23)18-15(4)9-10-16(14(2)3)19(18)26-13-17(22)25-12-8-11-21(5)6/h9-10,14H,7-8,11-13H2,1-6H3

InChIKey

RKBPFDSABQZWQQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.