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Substance Name: o-Anisic acid, 2-(cyclohexylamino)propyl ester, hydrochloride
RN: 28073-36-1
InChIKey: SYJWHEHHHHVMSS-UHFFFAOYSA-N

Molecular Formula

  • C17-H25-N-O3.Cl-H

Molecular Weight

  • 327.849
 
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Names and Synonyms

Synonyms

  • 2-(Cyclohexylamino)propyl o-anisate hydrochloride
  • 2-Cyclohexylamino-1-propanol o-methoxybenzoate hydrochloride

Systematic Name

  • o-Anisic acid, 2-(cyclohexylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 28073-36-1

System Generated Number

  • 0028073361

Molecular Formulas

Molecular Formula

  • C17-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO3.ClH/c1-13(18-14-8-4-3-5-9-14)12-21-17(19)15-10-6-7-11-16(15)20-2;/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3;1H

InChIKey

SYJWHEHHHHVMSS-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OC)C(OC[C@@H]([NH2+]C1CCCCC1)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 683, 1971.