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Substance Name: Guanidine, 1-(2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)-, sulfate (2:1)
RN: 23474-69-3
InChIKey: TUBNITSBMZBHDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N3-O2.1/2H2-O4-S

Molecular Weight

  • 568.648
 
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Names and Synonyms

Synonym

  • 1-(2-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)guanidine sulfate (2:1)

Systematic Name

  • Guanidine, 1-(2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl)-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 23474-69-3

System Generated Number

  • 0023474693

Molecular Formulas

Molecular Formula

  • C12-H17-N3-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C12-H17-N3-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C12H17N3O2.H2O4S/c2*13-12(14)15-5-4-9-2-3-10-11(8-9)17-7-1-6-16-10;1-5(2,3)4/h2*2-3,8H,1,4-7H2,(H4,13,14,15);(H2,1,2,3,4)

InChIKey

TUBNITSBMZBHDT-UHFFFAOYSA-N

Smiles

N(C(N)=N)CCc1cc2OCCCOc2cc1.S(=O)(=O)(O)O.N(C(N)=N)CCc1cc2OCCCOc2cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Therapie. Vol. 23, Pg. 1221, 1968.