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Substance Name: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-((1,3-benzodioxol-5-ylcarbonyl)amino)propyl)-2,2,5,5-tetramethyl-, monohydrochloride
RN: 102131-37-3
InChIKey: OSFDVRLZAMPVMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3-O4.Cl-H

Molecular Weight

  • 409.9112
 
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Names and Synonyms

  • 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-((1,3-benzodioxol-5-ylcarbonyl)amino)propyl)-2,2,5,5-tetramethyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 102131-37-3

System Generated Number

  • 0102131373

Molecular Formulas

Molecular Formula

  • C20-H27-N3-O4.Cl-H

Molecular Formula Fragments

  • C20-H27-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27N3O4.ClH/c1-19(2)11-14(20(3,4)23-19)18(25)22-9-5-8-21-17(24)13-6-7-15-16(10-13)27-12-26-15;/h6-7,10-11,23H,5,8-9,12H2,1-4H3,(H,21,24)(H,22,25);1H

InChIKey

OSFDVRLZAMPVMA-UHFFFAOYSA-N

Smiles

CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)c2ccc3c(c2)OCO3)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 76mg/kg (76mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.