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Substance Name: Thiocyanic acid, p-ureidophenyl ester
RN: 98555-04-5
InChIKey: UMRWOUROKYHOQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N3-O-S

Molecular Weight

  • 193.2293
 
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Names and Synonyms

Synonyms

  • 3-13-00-01308 (Beilstein Handbook Reference)
  • BRN 3271440
  • p-Ureidophenyl thiocyanate

Systematic Name

  • Thiocyanic acid, p-ureidophenyl ester

Registry Numbers

CAS Registry Number

  • 98555-04-5

System Generated Number

  • 0098555045

Structure Descriptors

InChI

1S/C8H7N3OS/c9-5-13-7-3-1-6(2-4-7)11-8(10)12/h1-4H,(H3,10,11,12)

InChIKey

UMRWOUROKYHOQH-UHFFFAOYSA-N

Smiles

c1cc(ccc1NC(=O)N)SC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 75, Pg. 303, 1955.