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Substance Name: 1H-Pyrazole, 3-(4-chlorophenyl)-4-methyl-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1)
RN: 86871-77-4
InChIKey: AYDHBWSDKHWDKL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-Cl-N3-O.C4-H4-O4

Molecular Weight

  • 421.8786
 
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Names and Synonyms

Synonym

  • 3-(p-Chlorophenyl)-4-methyl-5-pyrrolidinoethoxy-pyrazole maleate

Systematic Name

  • 1H-Pyrazole, 3-(4-chlorophenyl)-4-methyl-5-(2-(1-pyrrolidinyl)ethoxy)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 86871-77-4

System Generated Number

  • 0086871774

Molecular Formulas

Molecular Formula

  • C16-H20-Cl-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H20-Cl-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20ClN3O.C4H4O4/c1-12-15(13-4-6-14(17)7-5-13)18-19-16(12)21-11-10-20-8-2-3-9-20;5-3(6)1-2-4(7)8/h4-7H,2-3,8-11H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

AYDHBWSDKHWDKL-WLHGVMLRSA-N

Smiles

Cc1c(n[nH]c1OCCN2CCCC2)c3ccc(cc3)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   European Patent Application. Vol. #0076756,