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Substance Name: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate
RN: 42558-63-4
InChIKey: VTXQVXOSHISUNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N6-O.1/2H2-O4-S

Molecular Weight

  • 742.8182
 
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Names and Synonyms

Synonym

  • 4-(Guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-1-phthalazone hemisulfate

Systematic Name

  • 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-(2-(2-pyridyl)ethyl)-, hemisulfate

Registry Numbers

CAS Registry Number

  • 42558-63-4

System Generated Number

  • 0042558634

Molecular Formulas

Molecular Formula

  • C17-H18-N6-O.1/2H2-O4-S

Molecular Formula Fragments

  • C17-H18-N6-O
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C17H18N6O.H2O4S/c2*18-17(19)21-11-15-13-6-1-2-7-14(13)16(24)23(22-15)10-8-12-5-3-4-9-20-12;1-5(2,3)4/h2*1-7,9H,8,10-11H2,(H4,18,19,21);(H2,1,2,3,4)

InChIKey

VTXQVXOSHISUNG-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(nn(c2=O)CCc3ccccn3)CNC(=N)N.c1ccc2c(c1)c(nn(c2=O)CCc3ccccn3)CNC(=N)N.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 169mg/kg (169mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Pharmaceutical Chemistry Journal Vol. 7, Pg. 566, 1973.