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Substance Name: Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride
RN: 117596-39-1
InChIKey: QJBXPPNDDYSTCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O-S.Cl-H

Molecular Weight

  • 348.8959
 
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Names and Synonyms

Synonyms

  • 4-(1-Imino-2-(2-(phenylthio)phenyl)ethyl)morpholine hydrochloride
  • N,N-(3-Oxapentane-1,5-diyl)-(2-(phenylthio)phenyl)acetamidine hydrochloride

Systematic Name

  • Morpholine, 4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 117596-39-1

System Generated Number

  • 0117596391

Molecular Formulas

Molecular Formula

  • C18-H20-N2-O-S.Cl-H

Molecular Formula Fragments

  • C18-H20-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N2OS.ClH/c19-18(20-10-12-21-13-11-20)14-15-6-4-5-9-17(15)22-16-7-2-1-3-8-16;/h1-9,19H,10-14H2;1H

InChIKey

QJBXPPNDDYSTCX-UHFFFAOYSA-N

Smiles

c1ccc(cc1)Sc2ccccc2CC(=N)N3CCOCC3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 305mg/kg (305mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 381, 1988.