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Substance Name: 1H-Pyrrole, 2,5-dihydro-1-methyl-3-phenyl-, ethanedioate
RN: 97382-81-5
InChIKey: VYQKXQPLCXJIGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N.x-C2-H2-O4

Molecular Weight

  • 249.2645
 
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Names and Synonyms

Synonyms

  • 1-Methyl-3-phenyl-3-pyrroline oxalate
  • 2,5-Dihydro-1-methyl-3-phenyl-1H-pyrrole ethanedioate

Systematic Name

  • 1H-Pyrrole, 2,5-dihydro-1-methyl-3-phenyl-, ethanedioate

Registry Numbers

CAS Registry Number

  • 97382-81-5

System Generated Number

  • 0097382815

Molecular Formulas

Molecular Formula

  • C11-H13-N.x-C2-H2-O4

Molecular Formula Fragments

  • C11-H13-N
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13N.C2H2O4/c1-12-8-7-11(9-12)10-5-3-2-4-6-10;3-1(4)2(5)6/h2-7H,8-9H2,1H3;(H,3,4)(H,5,6)

InChIKey

VYQKXQPLCXJIGU-UHFFFAOYSA-N

Smiles

C1[N@@](CC=C1c1ccccc1)C.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37500ug/kg (37.5mg/kg)   United States Patent Document. Vol. #4626546,