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Substance Name: Dihydronereistoxin
RN: 1937-18-4
InChIKey: WRCRFKLCWDBILI-UHFFFAOYSA-N

Molecular Formulas

  • C5-H13-N-S2.C2-H2-O4
  • C5-H13-N-S2.C4-H2-O4

Molecular Weight

  • 241.331
 
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Names and Synonyms

Results Name

  • Dihydronereistoxin

Synonyms

  • 2-(Dimethylamino)-1,3-propanedithiol ethanedioate
  • Dihydronereistoxin

Systematic Name

  • 1,3-Propanedithiol, 2-(dimethylamino)-, oxalate

Registry Numbers

CAS Registry Number

  • 1937-18-4

System Generated Number

  • 0001937184

Molecular Formulas

Molecular Formulas

  • C5-H13-N-S2.C2-H2-O4
  • C5-H13-N-S2.C4-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C4-H2-O4
  • C5-H13-N-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C5H13NS2.C2H2O4/c1-6(2)5(3-7)4-8;3-1(4)2(5)6/h5,7-8H,3-4H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

WRCRFKLCWDBILI-UHFFFAOYSA-N

Smiles

SCC(N(C)C)CS.C(C(O)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 160mg/kg (160mg/kg)   "Pesticide Chemistry, Proceedings of the International IUPAC Congress of Pesticide Chemistry, 2nd, 1971," Tahori, A.S., ed., 6 vols., NY, Gordon & Breach Science Pub. Inc., 1971-72Vol. 1, Pg. 179, 1971.