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Substance Name: Urea, 1-(2,6-diisopropylphenyl)-3-(1-methyl-2-pyrrolidinylidene)-, hydrochloride
RN: 67531-34-4
InChIKey: MCCUULXAWZOQFZ-JWJVXZKMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N3-O.Cl-H

Molecular Weight

  • 337.8922
 
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Names and Synonyms

Synonym

  • 1-(2,6-Diisopropylphenyl)-3-(1-methyl-2-pyrrolidinylidene)urea hydrochloride

Systematic Name

  • Urea, 1-(2,6-diisopropylphenyl)-3-(1-methyl-2-pyrrolidinylidene)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 67531-34-4

System Generated Number

  • 0067531344

Molecular Formulas

Molecular Formula

  • C18-H27-N3-O.Cl-H

Molecular Formula Fragments

  • C18-H27-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27N3O.ClH/c1-12(2)14-8-6-9-15(13(3)4)17(14)20-18(22)19-16-10-7-11-21(16)5;/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,20,22);1H/b19-16-;

InChIKey

MCCUULXAWZOQFZ-JWJVXZKMSA-N

Smiles

CC(C)c1cccc(c1NC(=O)/N=C\2/CCCN2C)C(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 260mg/kg (260mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 1044, 1978.