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Substance Name: Benzoic acid, 2,6-dimethyl-4-propoxy-, 2-(1-pyrrolidinyl)propyl ester, hydrochloride
RN: 3737-66-4
InChIKey: VRURHQHFZWVTPQ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C19-H29-N-O3.Cl-H

Molecular Weight

  • 355.903
 
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Names and Synonyms

Synonyms

  • 2,6-Dimethyl-4-propoxy-benzoic acid 2-(1-pyrrolidinyl)propyl ester hydrochloride
  • U 2397

Systematic Name

  • Benzoic acid, 2,6-dimethyl-4-propoxy-, 2-(1-pyrrolidinyl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3737-66-4

System Generated Number

  • 0003737664

Molecular Formulas

Molecular Formula

  • C19-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H29NO3.ClH/c1-5-10-22-17-11-14(2)18(15(3)12-17)19(21)23-13-16(4)20-8-6-7-9-20;/h11-12,16H,5-10,13H2,1-4H3;1H

InChIKey

VRURHQHFZWVTPQ-UHFFFAOYSA-N

Smiles

c1(c(cc(OCCC)cc1C)C)C(OC[C@@H]([NH+]1CCCC1)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 152mg/kg (152mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 410, 1962.