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Substance Name: 2-Piperazineethanol, 4-((6-(1,1-dimethylethyl)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, dihydrochloride
RN: 53073-56-6
InChIKey: NLTLMPOMFTYSMZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N2-O3.2Cl-H

Molecular Weight

  • 407.3788
 
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Names and Synonyms

Synonyms

  • 1-(2-(6-(tert-Butyl)-1,4-benzodioxanyl)methyl)-4-(2-hydroxyethyl)piperazine dihydrochloride
  • CRL 4001

Systematic Name

  • 2-Piperazineethanol, 4-((6-(1,1-dimethylethyl)-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 53073-56-6

System Generated Number

  • 0053073566

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O3.2Cl-H

Molecular Formula Fragments

  • C19-H30-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30N2O3.2ClH/c1-19(2,3)14-4-5-17-18(10-14)23-13-16(24-17)12-21-8-7-20-15(11-21)6-9-22;;/h4-5,10,15-16,20,22H,6-9,11-13H2,1-3H3;2*1H

InChIKey

NLTLMPOMFTYSMZ-UHFFFAOYSA-N

Smiles

CC(C)(C)c1ccc2c(c1)OCC(O2)CN3CCNC(C3)CCO.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   United States Patent Document. Vol. #3959283,