Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: R 45
RN: 1102-70-1
InChIKey: PCPQWYHRMVULIX-UHFFFAOYSA-P

Molecular Formula

  • C16-H20-N4-O4.2N-O3

Molecular Weight

  • 456.366
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • R 45

Synonyms

  • 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))-butanediol(2,3)-dinitrat
  • 1,4-Bis(4-hydroxyiminomethyl-pyridinium-(1))-butanediol(2,3)-dinitrat [German]
  • R 45

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1102-70-1

System Generated Number

  • 0001102701

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O4.2N-O3

Molecular Formula Fragments

  • C16-H20-N4-O4
  • COMPONENT
  • N-O3

Structure Descriptors

InChI

1S/C16H18N4O4.2NO3/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)4/h1-10,15-16,21-22H,11-12H2;;/q;2*-1/p+2

InChIKey

PCPQWYHRMVULIX-UHFFFAOYSA-P

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 140mg/kg (140mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 870, 1964.
mouse LD50 intraperitoneal 179mg/kg (179mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 870, 1964.
mouse LD50 intravenous 55mg/kg (55mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 870, 1964.