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Substance Name: 3-Buten-2-one, 3-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenoxy)-4-phenyl-, hydrochloride, (Z)-
RN: 106063-72-3
InChIKey: ATMAQVALKHGEOC-JJECXDOKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Weight

  • 403.947
 
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Names and Synonyms

Synonym

  • (Z)-3-(2-(3-(tert-Butylamino)propoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride

Systematic Name

  • 3-Buten-2-one, 3-(2-(3-((1,1-dimethylethyl)amino)propoxy)phenoxy)-4-phenyl-, hydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 106063-72-3

System Generated Number

  • 0106063723

Molecular Formulas

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO3.ClH/c1-18(25)22(17-19-11-6-5-7-12-19)27-21-14-9-8-13-20(21)26-16-10-15-24-23(2,3)4;/h5-9,11-14,17,24H,10,15-16H2,1-4H3;1H/b22-17-;

InChIKey

ATMAQVALKHGEOC-JJECXDOKSA-N

Smiles

c1(c(cccc1)OCCC[NH2+]C(C)(C)C)O\C(=C/c1ccccc1)C(C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 12500ug/kg (12.5mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.