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Substance Name: Guanidine, (2-hydroxy-3-(3-methyl-4-(1-methylethyl)phenoxy)propyl)-, sulfate (2:1) (salt), (+-)-
RN: 63273-94-9
InChIKey: YAKOWMAGEBPVJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N3-O2.1/2H2-O4-S

Molecular Weight

  • 363.432
 
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Names and Synonyms

Synonym

  • (+-)-(2-Hydroxy-3-(3-methyl-4-(1-methylethyl)phenoxy)propyl)guanidine sulfate (2:1) (salt)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63273-94-9

System Generated Number

  • 0063273949

Molecular Formulas

Molecular Formula

  • C14-H23-N3-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C14-H23-N3-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C14H23N3O2.H2O4S/c1-9(2)13-5-4-12(6-10(13)3)19-8-11(18)7-17-14(15)16;1-5(2,3)4/h4-6,9,11,18H,7-8H2,1-3H3,(H4,15,16,17);(H2,1,2,3,4)

InChIKey

YAKOWMAGEBPVJW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 119mg/kg (119mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 69, 1977.