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Substance Name: Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)-, methyl ester, hydrochloride
RN: 13851-61-1
InChIKey: CUXXETIQYUUDTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O5.Cl-H

Molecular Weight

  • 418.875
 
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Names and Synonyms

Synonyms

  • 5-Amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)benzoic acid methyl ester hydrochloride
  • M & B 8249

Systematic Name

  • Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)-, methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 13851-61-1

System Generated Number

  • 0013851611

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O5.Cl-H

Molecular Formula Fragments

  • C21-H22-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O5.ClH/c1-27-21(26)17-13-14(22)9-10-18(17)28-12-6-2-5-11-23-19(24)15-7-3-4-8-16(15)20(23)25;/h3-4,7-10,13H,2,5-6,11-12,22H2,1H3;1H

InChIKey

CUXXETIQYUUDTP-UHFFFAOYSA-N

Smiles

c12c(C(=O)[N+](C1=O)CCCCCOc1c(cc(N)cc1)C(OC)=O)cccc2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 29, Pg. 248, 1967.