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Substance Name: Morpholine, 4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 127876-77-1
InChIKey: PDJNHKIBWATQHB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O-S.C4-H4-O4

Molecular Weight

  • 401.4807
 
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Names and Synonyms

Synonyms

  • 4-((2-(Phenylthio)phenyl)methyl)morpholine (Z)-2-butenedioate (1:1)
  • N-(2-(Phenylthio)benzyl)morpholine maleate

Systematic Name

  • Morpholine, 4-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-77-1

System Generated Number

  • 0127876771

Molecular Formulas

Molecular Formula

  • C17-H19-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H19-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19NOS.C4H4O4/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-18-10-12-19-13-11-18;5-3(6)1-2-4(7)8/h1-9H,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PDJNHKIBWATQHB-WLHGVMLRSA-N

Smiles

c1ccc(cc1)Sc2ccccc2CN3CCOCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1131mg/kg (1131mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.
mouse LD50 oral 176mg/kg (176mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.