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Substance Name: Guanidine, (2-hydroxy-3-(4-methylphenoxy)propyl)-, sulfate (2:1) (salt), (+-)-
RN: 63273-80-3
InChIKey: LOPSGOAWOIAQHE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N3-O2.1/2H2-O4-S

Molecular Weight

  • 321.352
 
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Names and Synonyms

Synonym

  • (+-)-(2-Hydroxy-3-(4-methylphenoxy)propyl)guanidine sulfate (2:1) (salt)

Systematic Name

  • Guanidine, (2-hydroxy-3-(4-methylphenoxy)propyl)-, sulfate (2:1) (salt), (+-)-

Registry Numbers

CAS Registry Number

  • 63273-80-3

System Generated Number

  • 0063273803

Molecular Formulas

Molecular Formula

  • C11-H17-N3-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C11-H17-N3-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C11H17N3O2.H2O4S/c1-8-2-4-10(5-3-8)16-7-9(15)6-14-11(12)13;1-5(2,3)4/h2-5,9,15H,6-7H2,1H3,(H4,12,13,14);(H2,1,2,3,4)

InChIKey

LOPSGOAWOIAQHE-UHFFFAOYSA-N

Smiles

S(=O)(=O)([O-])[O-].c1(OC[C@@H](C[NH+]C(N)=[NH+])O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 188mg/kg (188mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 69, 1977.