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Substance Name: 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide
RN: 52144-94-2
InChIKey: YRUOGHDSSFYSGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O5.Br-H

Molecular Weight

  • 390.2716
 
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Names and Synonyms

Synonym

  • KWD2037

Systematic Name

  • 1,3-Benzenediol, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-diacetate, hydrobromide

Registry Numbers

CAS Registry Number

  • 52144-94-2

System Generated Number

  • 0052144942

Molecular Formulas

Molecular Formula

  • C16-H23-N-O5.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H23-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO5.BrH/c1-10(18)21-12-6-7-13(15(8-12)22-11(2)19)14(20)9-17-16(3,4)5;/h6-8,14,17,20H,9H2,1-5H3;1H

InChIKey

YRUOGHDSSFYSGY-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc(c(c1)OC(=O)C)C(CNC(C)(C)C)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 112mg/kg (112mg/kg)   United States Patent Document. Vol. #4011258,
mouse LD50 oral 2100mg/kg (2100mg/kg)   United States Patent Document. Vol. #4011258,