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Substance Name: Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)-
RN: 13737-98-9
InChIKey: ZCLNIPUJEKUSEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O5

Molecular Weight

  • 368.387
 
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Names and Synonyms

Synonyms

  • 5-21-10-00335 (Beilstein Handbook Reference)
  • 5-Amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)benzoic acid
  • BRN 1507551
  • M & B 7971

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 13737-98-9

System Generated Number

  • 0013737989

Structure Descriptors

InChI

1S/C20H20N2O5/c21-13-8-9-17(16(12-13)20(25)26)27-11-5-1-4-10-22-18(23)14-6-2-3-7-15(14)19(22)24/h2-3,6-9,12H,1,4-5,10-11,21H2,(H,25,26)

InChIKey

ZCLNIPUJEKUSEP-UHFFFAOYSA-N

Smiles

c12c(C(=O)N(C1=O)CCCCCOc1c(cc(N)cc1)C(O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3800mg/kg (3800mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 29, Pg. 248, 1967.