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Substance Name: Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate
RN: 110826-59-0
InChIKey: DVRWHJLBKOCOIA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N-O2-S.Cl-O4

Molecular Weight

  • 337.7784
 
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Names and Synonyms

Synonyms

  • (4-(2,5-Dioxopyrrolidinyl)-2-butynyl)thiolanium perchlorate
  • 1-(4-(2,5-Dioxo-1-pyrrolidinyl)-2-butynyl)tetrahydrothiophenium perchlorate

Systematic Name

  • Thiophenium, tetrahydro-1-(4-(2,5-dioxo-1-pyrrolidinyl)-2-butynyl)-, perchlorate

Registry Numbers

CAS Registry Number

  • 110826-59-0

System Generated Number

  • 0110826590

Molecular Formulas

Molecular Formula

  • C12-H16-N-O2-S.Cl-O4

Molecular Formula Fragments

  • C12-H16-N-O2-S
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H16NO2S.ClHO4/c14-11-5-6-12(15)13(11)7-1-2-8-16-9-3-4-10-16;2-1(3,4)5/h3-10H2;(H,2,3,4,5)/q+1;/p-1

InChIKey

DVRWHJLBKOCOIA-UHFFFAOYSA-M

Smiles

C1CC[S+](C1)CC#CCN2C(=O)CCC2=O.[O-]Cl(=O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1182ug/kg (1.182mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 164, 1988.