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Substance Name: Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)
RN: 101221-58-3
InChIKey: UYJRMVXICRIONA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-F2-N6-O2.H2-O4-S

Molecular Weight

  • 419.4052
 
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Names and Synonyms

Synonyms

  • 3-(4'-Fluorobenzoil)propilguanidina solfato (1:2)
  • 3-(4'-Fluorobenzoil)propilguanidina solfato (1:2) [Italian]
  • 4'-Fluoro-4-guanidinobutyrophenone sulfate (1:2)

Systematic Name

  • Butyrophenone, 4'-fluoro-4-(guanidino)-, sulfate (1:2)

Registry Numbers

CAS Registry Number

  • 101221-58-3

System Generated Number

  • 0101221583

Molecular Formulas

Molecular Formula

  • C22-H28-F2-N6-O2.H2-O4-S

Molecular Formula Fragments

  • C22-H28-F2-N6-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C11H14FN3O.2H2O4S/c12-9-5-3-8(4-6-9)10(16)2-1-7-15-11(13)14;2*1-5(2,3)4/h3-6H,1-2,7H2,(H4,13,14,15);2*(H2,1,2,3,4)

InChIKey

UYJRMVXICRIONA-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)CCCNC(=N)N)F.OS(=O)(=O)O.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 442, 1976.