Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)
RN: 64037-27-0
InChIKey: CFZVHPKDNFUKEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N-O2.1/4H2-O

Molecular Weight

  • 1031.21
 
* 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

Synonym

  • 2-Phenyl-beta-methyl-5-benzoxazoleethanol hydrate

Systematic Name

  • 5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)

Registry Numbers

CAS Registry Number

  • 64037-27-0

System Generated Number

  • 0064037270

Molecular Formulas

Molecular Formula

  • C16-H15-N-O2.1/4H2-O

Molecular Formula Fragments

  • C16-H15-N-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/4C16H15NO2.H2O/c4*1-11(10-18)13-7-8-15-14(9-13)17-16(19-15)12-5-3-2-4-6-12;/h4*2-9,11,18H,10H2,1H3;1H2

InChIKey

CFZVHPKDNFUKEV-UHFFFAOYSA-N

Smiles

c12c(oc(n1)c1ccccc1)ccc(c2)[C@@H](CO)C.c12c(oc(n1)c1ccccc1)ccc(c2)[C@@H](CO)C.c12c(oc(n1)c1ccccc1)ccc(c2)[C@@H](CO)C.c12c(oc(n1)c1ccccc1)ccc(c2)[C@@H](CO)C.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.