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Substance Name: Carbanilic acid, m-hexyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-
RN: 38198-37-7
InChIKey: XPJPGDIKDDZIHY-VROPFNGYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H36-N2-O3.Cl-H

Molecular Weight

  • 425.009
 
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Names and Synonyms

Synonym

  • m-Hexyloxycarbanilic acid trans-2-(1-pyrrolidinyl)cyclohexyl ester hydrochloride

Systematic Name

  • Carbanilic acid, m-hexyloxy-, 2-(1-pyrrolidinyl)cyclohexyl ester, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 38198-37-7

System Generated Number

  • 0038198377

Molecular Formulas

Molecular Formula

  • C23-H36-N2-O3.Cl-H

Molecular Formula Fragments

  • C23-H36-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H36N2O3.ClH/c1-2-3-4-9-17-27-20-12-10-11-19(18-20)24-23(26)28-22-14-6-5-13-21(22)25-15-7-8-16-25;/h10-12,18,21-22H,2-9,13-17H2,1H3,(H,24,26);1H/t21-,22-;/m0./s1

InChIKey

XPJPGDIKDDZIHY-VROPFNGYSA-N

Smiles

[NH+]1([C@@H]2[C@@H](OC(Nc3cc(ccc3)OCCCCCC)=O)CCCC2)CCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15mg/kg (15mg/kg)   Archiv der Pharmazie Vol. 305, Pg. 648, 1972.
mouse LD50 subcutaneous 120mg/kg (120mg/kg)   Archiv der Pharmazie Vol. 305, Pg. 648, 1972.