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Substance Name: o-Chlorobetanidine sulfate
RN: 73-64-3
InChIKey: KHKPENDBCIDDOT-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-Cl-N3.1/2H2-O4-S

Molecular Weight

  • 521.467
 
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Names and Synonyms

Results Name

  • o-Chlorobetanidine sulfate

Name of Substance

  • BW 392C60

Synonyms

  • BW 392C60
  • o-Chlorobetanidine sulfate

Systematic Names

  • Guanidine, 1-(o-chlorobenzyl)-2,3-dimethyl-, sulfate (2:1)
  • Guanidine, N-((2-chlorophenyl)methyl)-N',N''-dimethyl-, sulfate (2:1) (9CI)

Registry Numbers

CAS Registry Number

  • 73-64-3

Related Registry Number

  • 51-13-8 (Parent)

System Generated Number

  • 0000073643

Molecular Formulas

Molecular Formula

  • C10-H14-Cl-N3.1/2H2-O4-S

Molecular Formula Fragments

  • C10-H14-Cl-N3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C10H14ClN3.H2O4S/c2*1-12-10(13-2)14-7-8-5-3-4-6-9(8)11;1-5(2,3)4/h2*3-6H,7H2,1-2H3,(H2,12,13,14);(H2,1,2,3,4)

InChIKey

KHKPENDBCIDDOT-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)CN\C(NC)=N/C.c1(c(cccc1)Cl)CN\C(NC)=N/C.S(O)(O)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 20, Pg. 36, 1963.
mouse LD50 subcutaneous 150mg/kg (150mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 20, Pg. 36, 1963.