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Substance Name: 1-Naphthaleneethanol, beta-(3-(dimethylamino)propyl)-, 3,5-dinitrobenzoate (ester), monohydrochloride
RN: 119585-29-4
InChIKey: JRTXNEOYDRCLCR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-N3-O6.Cl-H

Molecular Weight

  • 487.9374
 
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Names and Synonyms

Synonym

  • SR 45262 A

Systematic Name

  • 1-Naphthaleneethanol, beta-(3-(dimethylamino)propyl)-, 3,5-dinitrobenzoate (ester), monohydrochloride

Registry Numbers

CAS Registry Number

  • 119585-29-4

System Generated Number

  • 0119585294

Molecular Formulas

Molecular Formula

  • C24-H25-N3-O6.Cl-H

Molecular Formula Fragments

  • C24-H25-N3-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H25N3O6.ClH/c1-25(2)12-6-9-18(23-11-5-8-17-7-3-4-10-22(17)23)16-33-24(28)19-13-20(26(29)30)15-21(14-19)27(31)32;/h3-5,7-8,10-11,13-15,18H,6,9,12,16H2,1-2H3;1H

InChIKey

JRTXNEOYDRCLCR-UHFFFAOYSA-N

Smiles

CN(C)CCCC(COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])c2cccc3c2cccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5089251,