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Substance Name: Methanesulfonanilide, 5'-(2-(cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride, acetone, (-)-, (4:4:1)
RN: 58497-88-4
InChIKey: GFRFAMUHJBIMGI-YDALLXLXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O4-S.Cl-H.1/4C3-H6-O

Molecular Weight

  • 322.8111
 
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Names and Synonyms

  • Methanesulfonanilide, 5'-(2-(cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride, acetone, (-)-, (4:4:1)

Registry Numbers

CAS Registry Number

  • 58497-88-4

System Generated Number

  • 0058497884

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O4-S.Cl-H.1/4C3-H6-O

Molecular Formula Fragments

  • C12-H18-N2-O4-S
  • C3-H6-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2O4S.ClH/c1-19(17,18)14-10-6-8(2-5-11(10)15)12(16)7-13-9-3-4-9;/h2,5-6,9,12-16H,3-4,7H2,1H3;1H/t12-;/m0./s1

InChIKey

GFRFAMUHJBIMGI-YDALLXLXSA-N

Smiles

CS(=O)(=O)Nc1cc(ccc1O)[C@H](CNC2CC2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 22500ug/kg (22.5mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 626, 1976.