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Substance Name: Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with pyridoxol hydrochloride
RN: 27033-20-1
InChIKey: CVDDNZIBTIRITO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H38-Cl3-N-O9.Cl-H

Molecular Weight

  • 795.536
 
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Names and Synonyms

Synonym

  • 2-(p-Chlorophenoxy)-2-methylpropionic acid triester with pyridoxol hydrochloride

Systematic Name

  • Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with pyridoxol hydrochloride

Registry Numbers

CAS Registry Number

  • 27033-20-1

System Generated Number

  • 0027033201

Molecular Formulas

Molecular Formula

  • C38-H38-Cl3-N-O9.Cl-H

Molecular Formula Fragments

  • C38-H38-Cl3-N-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C38H38Cl3NO9.ClH/c1-21-31(22(16-17-42-21)18-23-19-25(40)10-15-30(23)51-37(4,5)34(45)46)32(28-20-27(13-14-29(28)41)50-36(2,3)33(43)44)48-35(47)38(6,7)49-26-11-8-24(39)9-12-26;/h8-17,19-20,32H,18H2,1-7H3,(H,43,44)(H,45,46);1H

InChIKey

CVDDNZIBTIRITO-UHFFFAOYSA-N

Smiles

c1(c(c(ccn1)Cc1cc(ccc1OC(C(=O)O)(C)C)Cl)[C@@H](OC(C(C)(C)Oc1ccc(cc1)Cl)=O)c1c(ccc(c1)OC(C(=O)O)(C)C)Cl)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 921, 1970.