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Substance Name: Guanidine, (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-, sulfate (2:1)
RN: 37483-81-1
InChIKey: QJUUZCVAODSJFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-Cl-N3-O.1/2H2-O4-S

Molecular Weight

  • 577.487
 
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Names and Synonyms

Synonyms

  • (8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)guanidine sulfate (2:1)
  • 5-Guanidino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hemisulfate

Systematic Name

  • Guanidine, (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 37483-81-1

System Generated Number

  • 0037483811

Molecular Formulas

Molecular Formula

  • C11-H14-Cl-N3-O.1/2H2-O4-S

Molecular Formula Fragments

  • C11-H14-Cl-N3-O
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C11H14ClN3O.H2O4S/c2*12-7-3-4-8-9(15-11(13)14)2-1-5-16-10(8)6-7;1-5(2,3)4/h2*3-4,6,9H,1-2,5H2,(H4,13,14,15);(H2,1,2,3,4)

InChIKey

QJUUZCVAODSJFW-UHFFFAOYSA-N

Smiles

c1cc2c(cc1Cl)OCCCC2NC(=N)N.c1cc2c(cc1Cl)OCCCC2NC(=N)N.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 868, 1972.