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Substance Name: Carbamic acid, (2-cyano-4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-6-fluorophenyl)-, ethyl ester, hydrochloride
RN: 75115-21-8
InChIKey: SPJRKSPZCWTNEA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-F-N3-O3.x-Cl-H

Molecular Weight

  • 359.8267
 
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Names and Synonyms

Synonyms

  • 1-(4-Aethoxycarbonylamino-3-cyan-5-fluor-phenyl)-2-tert-butyl-amino-aethanol HCl
  • 1-(4-Aethoxycarbonylamino-3-cyan-5-fluor-phenyl)-2-tert-butyl-amino-aethanol HCl [German]
  • Ethyl (2-cyano-4-(2-t-butylamino-1-hydroxyethyl)-6-fluorophenyl)carbamate hydrochloride

Systematic Name

  • Carbamic acid, (2-cyano-4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-6-fluorophenyl)-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 75115-21-8

System Generated Number

  • 0075115218

Molecular Formulas

Molecular Formula

  • C16-H22-F-N3-O3.x-Cl-H

Molecular Formula Fragments

  • C16-H22-F-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22FN3O3.ClH/c1-5-23-15(22)20-14-11(8-18)6-10(7-12(14)17)13(21)9-19-16(2,3)4;/h6-7,13,19,21H,5,9H2,1-4H3,(H,20,22);1H

InChIKey

SPJRKSPZCWTNEA-UHFFFAOYSA-N

Smiles

CCOC(=O)Nc1c(cc(cc1F)C(CNC(C)(C)C)O)C#N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 97500ug/kg (97.5mg/kg)   European Patent Application. Vol. #0008715,