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Substance Name: Pyrrolidine, 1-((2-(phenylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1)
RN: 127876-75-9
InChIKey: DQGPQPLEPQFHON-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-S.C4-H4-O4

Molecular Weight

  • 385.4817
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127876-75-9

System Generated Number

  • 0127876759

Molecular Formulas

Molecular Formula

  • C17-H19-N-S.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C17H19NS.C4H4O4/c1-2-9-16(10-3-1)19-17-11-5-4-8-15(17)14-18-12-6-7-13-18;5-3(6)1-2-4(7)8/h1-5,8-11H,6-7,12-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DQGPQPLEPQFHON-WLHGVMLRSA-N

Smiles

c1ccc(cc1)Sc2ccccc2CN3CCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43mg/kg (43mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.
mouse LD50 oral 233mg/kg (233mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.