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Substance Name: Isonipecotic acid, 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 63905-54-4
InChIKey: YOTISNNICHWTFC-UHFFFAOYSA-N

Molecular Formula

  • C23-H29-N-O4.Cl-H

Molecular Weight

  • 419.946
 
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Names and Synonyms

Synonyms

  • 4-Ethoxycarbonyl-1-(2-hydroxy-3-phenoxypropyl) 4-phenylpiperidine hydrochloride
  • B.D.H. 200 hydrochloride

Systematic Name

  • Isonipecotic acid, 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 63905-54-4

System Generated Number

  • 0063905544

Molecular Formulas

Molecular Formula

  • C23-H29-N-O4.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO4.ClH/c1-2-27-22(26)23(19-9-5-3-6-10-19)13-15-24(16-14-23)17-20(25)18-28-21-11-7-4-8-12-21;/h3-12,20,25H,2,13-18H2,1H3;1H

InChIKey

YOTISNNICHWTFC-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](C[C@@H](COc2ccccc2)O)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 419mg/kg (419mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacy and Pharmacology. Vol. 12, Pg. 449, 1960.
mouse LD50 subcutaneous 145mg/kg (145mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacy and Pharmacology. Vol. 12, Pg. 449, 1960.