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Substance Name: Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, methanesulfonate (salt)
RN: 72156-37-7
InChIKey: CRODBIWPGWQUPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O.C-H4-O3-S

Molecular Weight

  • 289.3937
 
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Names and Synonyms

Synonyms

  • 2-t-Butylamino-1-phenylethanol methanesulfonate
  • 2-Tertiobutylamino-1-phenyl-1-ethanol methanesulfonate
  • 2-Tertiobutylamino-1-phenyl-1-ethanol methanesulfonate [French]
  • alpha-(((1,1-Dimethylethyl)amino)methyl)benzenemethanol methanesulfonate (salt)
  • CRL 40610E

Systematic Name

  • Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 72156-37-7

System Generated Number

  • 0072156377

Molecular Formulas

Molecular Formula

  • C12-H19-N-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C12-H19-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19NO.CH4O3S/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;1-5(2,3)4/h4-8,11,13-14H,9H2,1-3H3;1H3,(H,2,3,4)

InChIKey

CRODBIWPGWQUPT-UHFFFAOYSA-N

Smiles

CC(C)(C)NCC(c1ccccc1)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 206mg/kg (206mg/kg)   European Patent Application. Vol. #0002638,