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Substance Name: p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, isopropyl ester
RN: 53335-15-2
InChIKey: HFJKKNWEJFPBRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H38-N2-O5

Molecular Weight

  • 422.562
 
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Names and Synonyms

Synonyms

  • 5-23-02-00133 (Beilstein Handbook Reference)
  • BRN 0575749

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53335-15-2

System Generated Number

  • 0053335152

Structure Descriptors

InChI

1S/C23H38N2O5/c1-16(2)20-7-6-18(5)21(23(28)30-17(3)4)22(20)29-15-19(27)14-25-10-8-24(9-11-25)12-13-26/h6-7,16-17,19,26-27H,8-15H2,1-5H3

InChIKey

HFJKKNWEJFPBRG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.