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Substance Name: Thiophenium, tetrahydro-1-(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate
RN: 110826-54-5
InChIKey: UUCVYHHUQNZQRZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N-O-S.Cl-O4

Molecular Weight

  • 323.7952
 
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Names and Synonyms

Synonyms

  • (4-(2-Oxopyrrolidinyl)-2-butynyl)thiolanium perchlorate
  • 1-(4-(2-Oxo-1-pyrrolidinyl)-2-butynyl)tetrahydrothiophenium perchlorate

Systematic Name

  • Thiophenium, tetrahydro-1-(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate

Registry Numbers

CAS Registry Number

  • 110826-54-5

System Generated Number

  • 0110826545

Molecular Formulas

Molecular Formula

  • C12-H18-N-O-S.Cl-O4

Molecular Formula Fragments

  • C12-H18-N-O-S
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18NOS.ClHO4/c14-12-6-5-8-13(12)7-1-2-9-15-10-3-4-11-15;2-1(3,4)5/h3-11H2;(H,2,3,4,5)/q+1;/p-1

InChIKey

UUCVYHHUQNZQRZ-UHFFFAOYSA-M

Smiles

C1CC[S+](C1)CC#CCN2CCCC2=O.[O-]Cl(=O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 712ug/kg (0.712mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS Journal of Medicinal Chemistry. Vol. 31, Pg. 164, 1988.