Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nicotinic acid, p-methylphenethyl ester
RN: 21173-27-3
InChIKey: VBKBPKQFPBNSKY-UHFFFAOYSA-N

Molecular Formula

  • C15-H15-N-O2

Molecular Weight

  • 241.288
 
* 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

Synonyms

  • 5-22-03-00343 (Beilstein Handbook Reference)
  • BRN 0400509
  • p-Tolylmethylcarbinol-nicotinic acid ester

Systematic Name

  • Nicotinic acid, p-methylphenethyl ester

Registry Numbers

CAS Registry Number

  • 21173-27-3

System Generated Number

  • 0021173273

Structure Descriptors

InChI

1S/C15H15NO2/c1-12-4-6-13(7-5-12)8-10-18-15(17)14-3-2-9-16-11-14/h2-7,9,11H,8,10H2,1H3

InChIKey

VBKBPKQFPBNSKY-UHFFFAOYSA-N

Smiles

c1(C(OCCc2ccc(C)cc2)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2026mg/kg (2026mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 443, 1968.
mouse LD50 oral 4378mg/kg (4378mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 443, 1968.
mouse LD50 subcutaneous 8410mg/kg (8410mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 443, 1968.
rat LD50 intraperitoneal 1530mg/kg (1530mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 443, 1968.
rat LD50 oral 3501mg/kg (3501mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 443, 1968.