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Substance Name: Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, propanoate (salt)
RN: 72156-34-4
InChIKey: XNTKOBYYIAZQEW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O.C3-H6-O2

Molecular Weight

  • 267.3665
 
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Names and Synonyms

Synonyms

  • 2-Tertiobutylamino-1-phenyl-1-ethanol propionate
  • 2-Tertiobutylamino-1-phenyl-1-ethanol propionate [French]
  • alpha-(((1,1-Dimethylethyl)amino)methyl)benzenemethanol propanoate (salt)
  • CRL 40610B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72156-34-4

System Generated Number

  • 0072156344

Molecular Formulas

Molecular Formula

  • C12-H19-N-O.C3-H6-O2

Molecular Formula Fragments

  • C12-H19-N-O
  • C3-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19NO.C3H6O2/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;1-2-3(4)5/h4-8,11,13-14H,9H2,1-3H3;2H2,1H3,(H,4,5)

InChIKey

XNTKOBYYIAZQEW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 179mg/kg (179mg/kg)   European Patent Application. Vol. #0002638,