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Substance Name: p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(2-propynylamino)propoxy)-, ethyl ester
RN: 53251-80-2
InChIKey: HFPQJHKCHYRJOJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N-O4

Molecular Weight

  • 333.425
 
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Names and Synonyms

Synonyms

  • BRN 2759528
  • Ethyl 3-(2-hydroxy-3-(2-propynylamino)propoxy)-p-cymene-2-carboxylate

Systematic Name

  • p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(2-propynylamino)propoxy)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 53251-80-2

System Generated Number

  • 0053251802

Structure Descriptors

InChI

1S/C19H27NO4/c1-6-10-20-11-15(21)12-24-18-16(13(3)4)9-8-14(5)17(18)19(22)23-7-2/h1,8-9,13,15,20-21H,7,10-12H2,2-5H3

InChIKey

HFPQJHKCHYRJOJ-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C(C)C)C)C(OCC)=O)OC[C@@H](CNCC#C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53mg/kg (53mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.