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Substance Name: Pyridinium, 1,1'-(2,3-dihydroxytetramethylene)bis(4-formyl-, dithiocyanate, dioxime
RN: 3852-76-4
InChIKey: CQDHEBVRIRVVEA-UHFFFAOYSA-N

Molecular Formula

  • C16-H20-N4-O4.2C-N-S

Molecular Weight

  • 448.526
 
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Names and Synonyms

Synonyms

  • 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))butanediol(2,3)-dirhodanid
  • 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))butanediol(2,3)-dirhodanid [German]
  • R 46

Systematic Name

  • Pyridinium, 1,1'-(2,3-dihydroxytetramethylene)bis(4-formyl-, dithiocyanate, dioxime

Registry Numbers

CAS Registry Number

  • 3852-76-4

System Generated Number

  • 0003852764

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O4.2C-N-S

Molecular Formula Fragments

  • C-N-S
  • C16-H20-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18N4O4.2CHNS/c21-15(11-19-5-1-13(2-6-19)9-17-23)16(22)12-20-7-3-14(4-8-20)10-18-24;2*2-1-3/h1-10,15-16,21-22H,11-12H2;2*3H

InChIKey

CQDHEBVRIRVVEA-UHFFFAOYSA-N

Smiles

C([n+]1ccc(cc1)\C=N\O)[C@@H]([C@@H](C[n+]1ccc(cc1)\C=N\O)O)O.[S-]C#N.[S-]C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 870, 1964.
mouse LD50 intraperitoneal 123mg/kg (123mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 870, 1964.
mouse LD50 intravenous 41mg/kg (41mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 870, 1964.