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Substance Name: Guanidine, (2-(hexahydro-1H-azepin-1-yl)ethyl)-, sulfate (2:1)
RN: 7770-99-2
InChIKey: KXWIDLZRCYSBTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H40-N8.H2-O4-S

Molecular Weight

  • 466.648
 
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Names and Synonyms

Synonym

  • (2-(Hexahydro-1-azepinyl)ethyl)guanidine sulfate (2:1)

Systematic Name

  • Guanidine, (2-(hexahydro-1H-azepin-1-yl)ethyl)-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 7770-99-2

System Generated Number

  • 0007770992

Molecular Formulas

Molecular Formula

  • C18-H40-N8.H2-O4-S

Molecular Formula Fragments

  • C18-H40-N8
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C9H20N4.H2O4S/c2*10-9(11)12-5-8-13-6-3-1-2-4-7-13;1-5(2,3)4/h2*1-8H2,(H4,10,11,12);(H2,1,2,3,4)

InChIKey

KXWIDLZRCYSBTC-UHFFFAOYSA-N

Smiles

N(C(N)=N)CCN1CCCCCC1.S(=O)(=O)(O)O.N(C(N)=N)CCN1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 97400ug/kg (97.4mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 629, 1963.
mouse LD50 oral 2gm/kg (2000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 629, 1963.
mouse LD50 subcutaneous 887mg/kg (887mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 83, Pg. 629, 1963.