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Substance Name: 9-Anthroic acid, 9,10-dihydro-, 3-(diethylamino)propyl ester, hydrochloride
RN: 66827-81-4
InChIKey: NODVCAUSFKGTJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O2.Cl-H

Molecular Weight

  • 373.921
 
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Names and Synonyms

Synonym

  • 9,10-Dihydro-9-anthroic acid 3-(diethylamino)propyl ester hydrochloride

Systematic Name

  • 9-Anthroic acid, 9,10-dihydro-, 3-(diethylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 66827-81-4

System Generated Number

  • 0066827814

Molecular Formulas

Molecular Formula

  • C22-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO2.ClH/c1-3-23(4-2)14-9-15-25-22(24)21-19-12-7-5-10-17(19)16-18-11-6-8-13-20(18)21;/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3;1H

InChIKey

NODVCAUSFKGTJA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 1582, 1943.