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Substance Name: Isoindoline-2-acetic acid, 1,3-dioxothio-, S-2,3-epithiopropyl ester
RN: 109219-00-3
InChIKey: NBYNEBJULHUEGZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-N-O3-S2

Molecular Weight

  • 293.366
 
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Names and Synonyms

Synonyms

  • 1,3-Dioxothioisoindoline-2-acetic acid S-2,3-epithiopropyl ester
  • 5-21-10-00463 (Beilstein Handbook Reference)
  • BRL 664
  • BRN 1257354

Systematic Name

  • Isoindoline-2-acetic acid, 1,3-dioxothio-, S-2,3-epithiopropyl ester

Registry Numbers

CAS Registry Number

  • 109219-00-3

System Generated Number

  • 0109219003

Structure Descriptors

InChI

1S/C13H11NO3S2/c15-11(17-6-8-7-19-8)5-14-12(16)9-3-1-2-4-10(9)13(14)18/h1-4,8H,5-7H2

InChIKey

NBYNEBJULHUEGZ-UHFFFAOYSA-N

Smiles

c12c(C(=S)N(C1=O)CC(OC[C@@H]1CS1)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.