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Substance Name: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-, hemisulfate
RN: 42558-60-1
InChIKey: LUGZUSZVJGLJBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N5-O.1/2H2-O4-S

Molecular Weight

  • 532.5396
 
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Names and Synonyms

Synonym

  • 4-(Guanidinomethyl)-1-phthalazone, hemisulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42558-60-1

System Generated Number

  • 0042558601

Molecular Formulas

Molecular Formula

  • C10-H11-N5-O.1/2H2-O4-S

Molecular Formula Fragments

  • C10-H11-N5-O
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C10H11N5O.H2O4S/c2*11-10(12)13-5-8-6-3-1-2-4-7(6)9(16)15-14-8;1-5(2,3)4/h2*1-4H,5H2,(H,15,16)(H4,11,12,13);(H2,1,2,3,4)

InChIKey

LUGZUSZVJGLJBN-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(n[nH]c2=O)CNC(=N)N.c1ccc2c(c1)c(n[nH]c2=O)CNC(=N)N.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Pharmaceutical Chemistry Journal Vol. 7, Pg. 566, 1973.