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Substance Name: 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochloride
RN: 29271-92-9
InChIKey: QRESTJHVKFETTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O3.Cl-H

Molecular Weight

  • 313.823
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid hydrochloride
  • LU-4-002

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 29271-92-9

System Generated Number

  • 0029271929

Molecular Formulas

Molecular Formula

  • C16-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO3.ClH/c1-15(2)12-8-5-6-9-13(12)16(20-15,14(18)19)10-7-11-17(3)4;/h5-6,8-9H,7,10-11H2,1-4H3,(H,18,19);1H

InChIKey

QRESTJHVKFETTR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 200mg/kg (200mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 28, Pg. 241, 1970.