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Substance Name: 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 2-methoxyphenyl ester
RN: 88149-59-1
InChIKey: QVLFOXWWEVUHME-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O4

Molecular Weight

  • 363.4109
 
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Names and Synonyms

Synonyms

  • 1-Methyl-5-p-toluoylpyrrole-2-acetic acid guaiacyl ester
  • 2-Methoxyphenyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate

Systematic Name

  • 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, 2-methoxyphenyl ester

Registry Numbers

CAS Registry Number

  • 88149-59-1

System Generated Number

  • 0088149591

Structure Descriptors

InChI

1S/C22H21NO4/c1-15-8-10-16(11-9-15)22(25)18-13-12-17(23(18)2)14-21(24)27-20-7-5-4-6-19(20)26-3/h4-13H,14H2,1-3H3

InChIKey

QVLFOXWWEVUHME-UHFFFAOYSA-N

Smiles

c1(n(c(CC(=O)Oc2c(OC)cccc2)cc1)C)C(=O)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   European Patent Application. Vol. #88734,
mouse LD50 oral > 1500mg/kg (1500mg/kg)   European Patent Application. Vol. #88734,
rat LD50 intraperitoneal 1175mg/kg (1175mg/kg)   European Patent Application. Vol. #88734,
rat LD50 oral > 1500mg/kg (1500mg/kg)   European Patent Application. Vol. #88734,