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Substance Name: 9-Anthroic acid, 9,10-dihydro-, 2-(dibutylamino)ethyl ester, hydrochloride
RN: 66827-80-3
InChIKey: IPJQTLYXCNXSAC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N-O2.Cl-H

Molecular Weight

  • 416.002
 
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Names and Synonyms

Synonym

  • 9,10-Dihydro-9-anthroic acid 2-(dibutylamino)ethyl ester hydrochloride

Systematic Name

  • 9-Anthroic acid, 9,10-dihydro-, 2-(dibutylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 66827-80-3

System Generated Number

  • 0066827803

Molecular Formulas

Molecular Formula

  • C25-H33-N-O2.Cl-H

Molecular Formula Fragments

  • C25-H33-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33NO2.ClH/c1-3-5-15-26(16-6-4-2)17-18-28-25(27)24-22-13-9-7-11-20(22)19-21-12-8-10-14-23(21)24;/h7-14,24H,3-6,15-19H2,1-2H3;1H

InChIKey

IPJQTLYXCNXSAC-UHFFFAOYSA-N

Smiles

C1(c2c(Cc3c1cccc3)cccc2)C(OCC[NH+](CCCC)CCCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 530mg/kg (530mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 1582, 1943.