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Substance Name: 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide
RN: 52223-84-4
InChIKey: QMFGRKABWCUUOL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O5.Br-H

Molecular Weight

  • 418.3252
 
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Names and Synonyms

Synonym

  • KWD2057

Systematic Name

  • 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, 1,3-dipropanoate, hydrobromide

Registry Numbers

CAS Registry Number

  • 52223-84-4

System Generated Number

  • 0052223844

Molecular Formulas

Molecular Formula

  • C18-H27-N-O5.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H27-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO5.BrH/c1-6-16(21)23-13-8-12(15(20)11-19-18(3,4)5)9-14(10-13)24-17(22)7-2;/h8-10,15,19-20H,6-7,11H2,1-5H3;1H

InChIKey

QMFGRKABWCUUOL-UHFFFAOYSA-N

Smiles

CCC(=O)Oc1cc(cc(c1)OC(=O)CC)C(CNC(C)(C)C)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   United States Patent Document. Vol. #4011258,
mouse LD50 oral 2200mg/kg (2200mg/kg)   United States Patent Document. Vol. #4011258,