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Substance Name: Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate
RN: 63679-67-4
InChIKey: FCCAOAHPXZBSCJ-UHFFFAOYSA-N

Molecular Formula

  • C11-H17-N3-S.H2-O4-S

Molecular Weight

  • 321.42
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-2-aminobutylisothiouronium sulfate
  • Pseudourea, 2-thio-, 1-phenyl-2-aminobutyl-, sulfate
  • USAF B-116

Systematic Name

  • Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 63679-67-4

System Generated Number

  • 0063679674

Molecular Formulas

Molecular Formula

  • C11-H17-N3-S.H2-O4-S

Molecular Formula Fragments

  • C11-H17-N3-S
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C11H17N3S.H2O4S/c12-8-4-5-9-15-11(13)14-10-6-2-1-3-7-10;1-5(2,3)4/h1-3,6-7H,4-5,8-9,12H2,(H2,13,14);(H2,1,2,3,4)

InChIKey

FCCAOAHPXZBSCJ-UHFFFAOYSA-N

Smiles

C(=N\c1ccccc1)(\SCCCCN)N.S(=O)(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   National Technical Information Service. Vol. AD277-689,