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Substance Name: 1H-Pyrazole-4-acetic acid, 1-(4-methoxyphenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-, compd. with morpholine (1:1)
RN: 116834-30-1
InChIKey: CXRNPAJRGXRXQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O3.C4-H8-N-O

Molecular Weight

  • 398.4604
 
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Names and Synonyms

  • 1H-Pyrazole-4-acetic acid, 1-(4-methoxyphenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-, compd. with morpholine (1:1)

Registry Numbers

CAS Registry Number

  • 116834-30-1

System Generated Number

  • 0116834301

Molecular Formulas

Molecular Formula

  • C17-H17-N3-O3.C4-H8-N-O

Molecular Formula Fragments

  • C17-H17-N3-O3
  • C4-H8-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17N3O3.C4H9NO/c1-12(17(21)22)15-11-18-20(16(15)19-9-3-4-10-19)13-5-7-14(23-2)8-6-13;1-3-6-4-2-5-1/h3-12H,1-2H3,(H,21,22);5H,1-4H2

InChIKey

CXRNPAJRGXRXQH-UHFFFAOYSA-N

Smiles

CC(c1cnn(c1n2cccc2)c3ccc(cc3)OC)C(=O)O.C1COCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 251, 1988.