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Substance Name: Guanidine, 1-(p-trifluoromethylbenzyl)-, hemihydrogensulfate
RN: 14629-09-5
InChIKey: LTWWFBZTNRJBBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-F3-N3.1/2H2-O4-S

Molecular Weight

  • 315.271
 
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Names and Synonyms

Synonyms

  • 1-(p-Trifluoromethylbenzyl)guanidine hemihydrogensulfate
  • p-(Trifluoromethylbenzyl)guanidine

Systematic Name

  • Guanidine, 1-(p-trifluoromethylbenzyl)-, hemihydrogensulfate

Registry Numbers

CAS Registry Number

  • 14629-09-5

System Generated Number

  • 0014629095

Molecular Formulas

Molecular Formula

  • C9-H10-F3-N3.1/2H2-O4-S

Molecular Formula Fragments

  • C9-H10-F3-N3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C9H10F3N3.H2O4S/c10-9(11,12)7-3-1-6(2-4-7)5-15-8(13)14;1-5(2,3)4/h1-4H,5H2,(H4,13,14,15);(H2,1,2,3,4)

InChIKey

LTWWFBZTNRJBBZ-UHFFFAOYSA-N

Smiles

c1(ccc(C[NH+]C(=N)[NH2+])cc1)C(F)(F)F.S(=O)(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Journal of Medicinal Chemistry. Vol. 10, Pg. 833, 1967.
mouse LD50 oral 475mg/kg (475mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 833, 1967.
rabbit LDLo unreported 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Medicinal Chemistry. Vol. 10, Pg. 833, 1967.