Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Phthalancarboxylic acid, 3,3-dimethyl-1-(3-(dimethylamino)propyl)-, ethyl ester, hydrochloride
RN: 22048-54-0
InChIKey: TWNZYGWQNAKEQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O3.Cl-H

Molecular Weight

  • 341.876
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3,3-Dimethyl-1-(3-(dimethylamino)propyl)-1-phthalancarboxylic acid ethyl ester HCl
  • LU 4-001 hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22048-54-0

System Generated Number

  • 0022048540

Molecular Formulas

Molecular Formula

  • C18-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO3.ClH/c1-6-21-16(20)18(12-9-13-19(4)5)15-11-8-7-10-14(15)17(2,3)22-18;/h7-8,10-11H,6,9,12-13H2,1-5H3;1H

InChIKey

TWNZYGWQNAKEQD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 61mg/kg (61mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 28, Pg. 241, 1970.