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Substance Name: 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride
RN: 22048-31-3
InChIKey: DKGIBDZBGUDFGO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O3.Cl-H

Molecular Weight

  • 327.849
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid methyl ester HCl
  • LU 4-006 hydrochloride

Systematic Name

  • 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 22048-31-3

System Generated Number

  • 0022048313

Molecular Formulas

Molecular Formula

  • C17-H25-N-O3.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO3.ClH/c1-16(2)13-9-6-7-10-14(13)17(21-16,15(19)20-5)11-8-12-18(3)4;/h6-7,9-10H,8,11-12H2,1-5H3;1H

InChIKey

DKGIBDZBGUDFGO-UHFFFAOYSA-N

Smiles

O1[C@@](c2ccccc2C1(C)C)(C(=O)OC)CCCN(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48mg/kg (48mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 28, Pg. 241, 1970.