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Substance Name: 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-((4-chlorophenyl)methyl)-2,2,5,5-tetramethyl-, monohydrochloride
RN: 93968-91-3
InChIKey: SSMMODIANUGBMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl-N2-O.Cl-H

Molecular Weight

  • 329.2688
 
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Names and Synonyms

Synonym

  • 2,5-Dihydro-N-((4-chlorophenyl)methyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide HCl

Systematic Name

  • 1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-((4-chlorophenyl)methyl)-2,2,5,5-tetramethyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 93968-91-3

System Generated Number

  • 0093968913

Molecular Formulas

Molecular Formula

  • C16-H21-Cl-N2-O.Cl-H

Molecular Formula Fragments

  • C16-H21-Cl-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21ClN2O.ClH/c1-15(2)9-13(16(3,4)19-15)14(20)18-10-11-5-7-12(17)8-6-11;/h5-9,19H,10H2,1-4H3,(H,18,20);1H

InChIKey

SSMMODIANUGBMA-UHFFFAOYSA-N

Smiles

C1(=CC(NC1(C)C)(C)C)C(=O)NCc1ccc(Cl)cc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 49mg/kg (49mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1138, 1986.