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Substance Name: p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, methyl ester
RN: 53335-20-9
InChIKey: ACFSLNOJYWCHEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N2-O5

Molecular Weight

  • 394.509
 
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Names and Synonyms

Synonyms

  • 5-23-02-00133 (Beilstein Handbook Reference)
  • BRN 0574724

Systematic Name

  • p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 53335-20-9

System Generated Number

  • 0053335209

Structure Descriptors

InChI

1S/C21H34N2O5/c1-15(2)18-6-5-16(3)19(21(26)27-4)20(18)28-14-17(25)13-23-9-7-22(8-10-23)11-12-24/h5-6,15,17,24-25H,7-14H2,1-4H3

InChIKey

ACFSLNOJYWCHEO-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C(C)C)C)C(OC)=O)OC[C@@H](CN1CCN(CCO)CC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.