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Substance Name: 1(2H)-Phthalazinone, 4-(guanidinomethyl)-2-methyl-, hemisulfate
RN: 42558-61-2
InChIKey: FXYDRWIXDJUBJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N5-O.1/2H2-O4-S

Molecular Weight

  • 560.5932
 
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Names and Synonyms

Synonym

  • 4-(Guanidinomethyl)-2-methyl-1-phthalazone hemisulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42558-61-2

System Generated Number

  • 0042558612

Molecular Formulas

Molecular Formula

  • C11-H13-N5-O.1/2H2-O4-S

Molecular Formula Fragments

  • C11-H13-N5-O
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C11H13N5O.H2O4S/c2*1-16-10(17)8-5-3-2-4-7(8)9(15-16)6-14-11(12)13;1-5(2,3)4/h2*2-5H,6H2,1H3,(H4,12,13,14);(H2,1,2,3,4)

InChIKey

FXYDRWIXDJUBJG-UHFFFAOYSA-N

Smiles

Cn1c(=O)c2ccccc2c(n1)CNC(=N)N.Cn1c(=O)c2ccccc2c(n1)CNC(=N)N.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 193mg/kg (193mg/kg)   Pharmaceutical Chemistry Journal Vol. 7, Pg. 566, 1973.