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Substance Name: Choline, picrate, 3-pyridazineacrylate
RN: 110061-37-5
InChIKey: GZADJCHIBNQJDN-UHDJGPCESA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N3-O2.C6-H2-N3-O7

Molecular Weight

  • 464.389
 
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Names and Synonyms

Synonym

  • beta-Pyridazin-3-ylacryloylcholine picrate

Systematic Name

  • Choline, picrate, 3-pyridazineacrylate

Registry Numbers

CAS Registry Number

  • 110061-37-5

System Generated Number

  • 0110061375

Molecular Formulas

Molecular Formula

  • C12-H18-N3-O2.C6-H2-N3-O7

Molecular Formula Fragments

  • C12-H18-N3-O2
  • C6-H2-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N3O2.C6H3N3O7/c1-15(2,3)9-10-17-12(16)7-6-11-5-4-8-13-14-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,9-10H2,1-3H3;1-2,10H/q+1;/p-1/b7-6+;

InChIKey

GZADJCHIBNQJDN-UHDJGPCESA-M

Smiles

C[N+](C)(C)CCOC(=O)/C=C/c1cccnn1.c1c(cc(c(c1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 378, 1958.