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Substance Name: 3-Buten-2-one, 3-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-, (Z)-
RN: 106064-00-0
InChIKey: JHGZTFGLCONBSN-HMAPJEAMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O4

Molecular Weight

  • 383.4851
 
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Names and Synonyms

Synonyms

  • (Z)-3-(2-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-3-buten-2-one
  • BRN 2166788

Systematic Name

  • 3-Buten-2-one, 3-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-, (Z)-

Registry Numbers

CAS Registry Number

  • 106064-00-0

System Generated Number

  • 0106064000

Structure Descriptors

InChI

1S/C23H29NO4/c1-17(25)22(14-18-10-6-5-7-11-18)28-21-13-9-8-12-20(21)27-16-19(26)15-24-23(2,3)4/h5-14,19,24,26H,15-16H2,1-4H3/b22-14-

InChIKey

JHGZTFGLCONBSN-HMAPJEAMSA-N

Smiles

CC(=O)/C(=C/c1ccccc1)/Oc2ccccc2OCC(CNC(C)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.