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Substance Name: Benzoic acid, 2-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-
RN: 93799-12-3
InChIKey: XBNDGZJADCLPGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3-O4

Molecular Weight

  • 373.45
 
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Names and Synonyms

Synonyms

  • BRN 5998093
  • N-(2,2,5,5-Tetramethyl-3-pyrroline-3-carbonyl)-N'-(2-carboxybenzoyl)-1,3-diaminopropane

Systematic Name

  • Benzoic acid, 2-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 93799-12-3

System Generated Number

  • 0093799123

Structure Descriptors

InChI

1S/C20H27N3O4/c1-19(2)12-15(20(3,4)23-19)17(25)22-11-7-10-21-16(24)13-8-5-6-9-14(13)18(26)27/h5-6,8-9,12,23H,7,10-11H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)

InChIKey

XBNDGZJADCLPGS-UHFFFAOYSA-N

Smiles

C=1(C(NC(C1)(C)C)(C)C)C(NCCCNC(c1c(cccc1)C(O)=O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 419mg/kg (419mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.