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Substance Name: 4-Morpholineethanol, 2-hydroxy-2-(p-(isobutylsulfonyl)phenyl)-, hydrochloride, hydrate
RN: 104100-25-6
InChIKey: HRPQUHQBLVIUGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O5-S.Cl-H.H2-O

Molecular Weight

  • 397.9172
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-2-(p-(isobutylsulfonyl)phenyl)-4-morpholineethanol hydrochloride hydrate
  • 2-Hydroxy-4-(2-hydroxyethyl)-2-(4-(2-methylpropylsulfonyl)phenyl)morpholine HCl hydrate
  • 4-Morpholineethanol, 2-hydroxy-2-(4-((2-methylpropyl)sulfonyl)phenyl)-,hydrochloride, hydrate

Systematic Name

  • 4-Morpholineethanol, 2-hydroxy-2-(p-(isobutylsulfonyl)phenyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 104100-25-6

System Generated Number

  • 0104100256

Molecular Formulas

Molecular Formula

  • C16-H25-N-O5-S.Cl-H.H2-O

Molecular Formula Fragments

  • C16-H25-N-O5-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H25NO5S.ClH.H2O/c1-13(2)11-23(20,21)15-5-3-14(4-6-15)16(19)12-17(7-9-18)8-10-22-16;;/h3-6,13,18-19H,7-12H2,1-2H3;1H;1H2

InChIKey

HRPQUHQBLVIUGX-UHFFFAOYSA-N

Smiles

C1[C@@](OCC[N@@]1CCO)(c1ccc(cc1)S(=O)(=O)CC(C)C)O.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1498, 1985.