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Substance Name: Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 3-(dimethylamino)propyl ester
RN: 53206-93-2
InChIKey: JTNZXOJENVIQTO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O5

Molecular Weight

  • 379.494
 
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Names and Synonyms

Synonyms

  • BRN 2775519
  • p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propoxycarbonylmethoxy)-, isoporpyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53206-93-2

System Generated Number

  • 0053206932

Structure Descriptors

InChI

1S/C21H33NO5/c1-14(2)17-10-9-16(5)19(21(24)27-15(3)4)20(17)26-13-18(23)25-12-8-11-22(6)7/h9-10,14-15H,8,11-13H2,1-7H3

InChIKey

JTNZXOJENVIQTO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 61mg/kg (61mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.