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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2-methylphenyl)-, compd. with 2-aminoethanol (1:1)
RN: 60352-43-4
InChIKey: KUXKYJHUDYXORQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N-O2.C2-H7-N-O

Molecular Weight

  • 304.3876
 
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Names and Synonyms

Synonym

  • 2,5-Dimethyl-1-(2-methylphenyl)-1H-pyrrole-3-acetic acid compd. with 2-aminoethanol (1:1)

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2-methylphenyl)-, compd. with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 60352-43-4

System Generated Number

  • 0060352434

Molecular Formulas

Molecular Formula

  • C15-H17-N-O2.C2-H7-N-O

Molecular Formula Fragments

  • C15-H17-N-O2
  • C2-H7-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17NO2.C2H7NO/c1-10-6-4-5-7-14(10)16-11(2)8-13(12(16)3)9-15(17)18;3-1-2-4/h4-8H,9H2,1-3H3,(H,17,18);4H,1-3H2

InChIKey

KUXKYJHUDYXORQ-UHFFFAOYSA-N

Smiles

Cc1ccccc1n2c(cc(c2C)CC(=O)O)C.C(CO)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1400mg/kg (1400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.
mouse LD50 oral 1400mg/kg (1400mg/kg) BEHAVIORAL: ANALGESIA European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.