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Substance Name: Benzoic acid, p-(2-((diethylamino)methyl)butoxy)-, p-methoxyphenyl ester, hydrochloride
RN: 3737-72-2
InChIKey: IJIPNXUKJDCYFM-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C23-H31-N-O4.Cl-H

Molecular Weight

  • 421.962
 
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Names and Synonyms

Synonyms

  • p-(2-((Diethylamino)methyl)butoxy)benzoic acid p-methoxyphenyl ester hydrochloride
  • U-0290

Systematic Name

  • Benzoic acid, p-(2-((diethylamino)methyl)butoxy)-, p-methoxyphenyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3737-72-2

System Generated Number

  • 0003737722

Molecular Formulas

Molecular Formula

  • C23-H31-N-O4.Cl-H

Molecular Formula Fragments

  • C23-H31-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31NO4.ClH/c1-5-8-22(17-24(6-2)7-3)27-20-11-9-18(10-12-20)23(25)28-21-15-13-19(26-4)14-16-21;/h9-16,22H,5-8,17H2,1-4H3;1H

InChIKey

IJIPNXUKJDCYFM-UHFFFAOYSA-N

Smiles

c1(C(Oc2ccc(OC)cc2)=O)ccc(O[C@@H](C[NH+](CC)CC)CCC)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 479mg/kg (479mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 410, 1962.