Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: WR 172435
RN: 77076-20-1
InChIKey: CHBRZFKYIGRRNM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H34-F6-N2-O.C-H4-O3-S

Molecular Weight

  • 648.7052
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • WR 172435

Synonyms

  • 3-Di-n-butylamino-1-(2,6-bis(4-trifluoromethylphenyl)-4-pyridyl)propanol methanesulfonate
  • WR 172435

Systematic Names

  • 4-Pyridinemethanol, 2,6-bis(alpha, alpha,alpha-trifluoro-p-phenyl)-alpha-(2-(dibutylamino)ethyl)-, methanesulfonate
  • 4-Pyridinemethanol, alpha-(2-(dibutylamino)ethyl)-2,6-bis(4-(trifluoromethyl)phenyl)-, (+-)-, monomethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 77076-20-1

System Generated Number

  • 0077076201

Molecular Formulas

Molecular Formula

  • C30-H34-F6-N2-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C30-H34-F6-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C30H34F6N2O.CH4O3S/c1-3-5-16-38(17-6-4-2)18-15-28(39)23-19-26(21-7-11-24(12-8-21)29(31,32)33)37-27(20-23)22-9-13-25(14-10-22)30(34,35)36;1-5(2,3)4/h7-14,19-20,28,39H,3-6,15-18H2,1-2H3;1H3,(H,2,3,4)

InChIKey

CHBRZFKYIGRRNM-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCC(c1cc(nc(c1)c2ccc(cc2)C(F)(F)F)c3ccc(cc3)C(F)(F)F)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 254mg/kg (254mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.
rat LD50 oral 2754mg/kg (2754mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.