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Substance Name: Benzyl alcohol, p-hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)-, hydrochloride
RN: 34920-64-4
InChIKey: PDPDJLXMNDIZMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O2-S.Cl-H

Molecular Weight

  • 353.912
 
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Names and Synonyms

Synonyms

  • 1-(p-Hydroxyphenyl)-2-(3'-phenylthiopropylamino)-1-propanol hydrochloride
  • Benzenemethanol, 4-hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)-, hydrochloride
  • p-Hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)benzyl alcohol hydrochloride

Systematic Name

  • Benzyl alcohol, p-hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 34920-64-4

Related Registry Number

  • 57476-29-6 (Parent)

System Generated Number

  • 0034920644

Molecular Formulas

Molecular Formula

  • C18-H23-N-O2-S.Cl-H

Molecular Formula Fragments

  • C18-H23-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO2S.ClH/c20-16-9-7-15(8-10-16)18(21)11-13-19-12-4-14-22-17-5-2-1-3-6-17;/h1-3,5-10,18-21H,4,11-14H2;1H

InChIKey

PDPDJLXMNDIZMR-UHFFFAOYSA-N

Smiles

c1([C@@H](CC[NH2+]CCCSc2ccccc2)O)ccc(O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 400mg/kg (400mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.
dog LDLo intravenous 65mg/kg (65mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.
dog LDLo subcutaneous 300mg/kg (300mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.
mouse LD50 oral 650mg/kg (650mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.
mouse LD50 subcutaneous 125mg/kg (125mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.
rabbit LD50 intravenous 27mg/kg (27mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.
rat LD50 oral 650mg/kg (650mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 474, 1971.