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Substance Name: Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate
RN: 86398-87-0
InChIKey: JABBLAYVGUYTLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-F6-N3-O2.C-H4-O3-S

Molecular Weight

  • 627.6435
 
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Names and Synonyms

  • Urea, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N,N'-bis(3-(trifluoromethyl)phenyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 86398-87-0

System Generated Number

  • 0086398870

Molecular Formulas

Molecular Formula

  • C26-H31-F6-N3-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C26-H31-F6-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31F6N3O2.CH4O3S/c1-18(2)16-37-17-23(34-11-3-4-12-34)15-35(22-10-6-8-20(14-22)26(30,31)32)24(36)33-21-9-5-7-19(13-21)25(27,28)29;1-5(2,3)4/h5-10,13-14,18,23H,3-4,11-12,15-17H2,1-2H3,(H,33,36);1H3,(H,2,3,4)

InChIKey

JABBLAYVGUYTLR-UHFFFAOYSA-N

Smiles

CC(C)COCC(CN(c1cccc(c1)C(F)(F)F)C(=O)Nc2cccc(c2)C(F)(F)F)N3CCCC3.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   French Demande Patent Document. Vol. #2504925,