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MedKoo Cat#: 329301 | Name: Benzyl Nicotinate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Benzyl Nicotinate, also known as Rubriment and Pycaril, is a GPR109A receptor agonist and GPR109B receptor agonist used as a rubefacient.

Chemical Structure

Benzyl Nicotinate
CAS#94-44-0

Theoretical Analysis

MedKoo Cat#: 329301

Name: Benzyl Nicotinate

CAS#: 94-44-0

Chemical Formula: C13H11NO2

Exact Mass: 213.0790

Molecular Weight: 213.24

Elemental Analysis: C, 73.23; H, 5.20; N, 6.57; O, 15.01

Price and Availability

Size Price Availability Quantity
5g USD 250.00 2 Weeks
25g USD 550.00 2 Weeks
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Related CAS #
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Synonym
Benzyl Nicotinate; Rubriment; Pycaril; Nicotinic acid benzyl ester
IUPAC/Chemical Name
benzyl nicotinate
InChi Key
KVYGGMBOZFWZBQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
SMILES Code
O=C(C1=CC=CN=C1)OCC2=CC=CC=C2
Appearance
Solid powder
Purity
>97% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 213.24 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Jacobi U, Kaiser M, Sterry W, Lademann J. Kinetics of blood flow after topical application of benzyl nicotinate on different anatomic sites. Arch Dermatol Res. 2006 Nov;298(6):291-300. PubMed PMID: 16967307. 2: Mbah CJ. Degradation kinetics of benzyl nicotinate in aqueous solution. Indian J Pharm Sci. 2010 Jan;72(1):46-9. doi: 10.4103/0250-474X.62238. PubMed PMID: 20582189; PubMed Central PMCID: PMC2883226. 3: Abramović Z, Sustarsic U, Teskac K, Sentjurc M, Kristl J. Influence of nanosized delivery systems with benzyl nicotinate and penetration enhancers on skin oxygenation. Int J Pharm. 2008 Jul 9;359(1-2):220-7. doi: 10.1016/j.ijpharm.2008.03.014. PubMed PMID: 18472233. 4: Jacobi U, Kaiser M, Koscielny J, Schütz R, Meinke M, Sterry W, Lademann J. Comparison of blood flow to the cutaneous temperature and redness after topical application of benzyl nicotinate. J Biomed Opt. 2006 Jan-Feb;11(1):014025. PubMed PMID: 16526902. 5: Kristl J, Abramović Z, Sentjurc M. Skin oxygenation after topical application of liposome-entrapped benzyl nicotinate as measured by EPR oximetry in vivo: influence of composition and size. AAPS PharmSci. 2003;5(1):E2. PubMed PMID: 12713274; PubMed Central PMCID: PMC2751470. 6: Krzic M, Sentjurc M, Kristl J. Improved skin oxygenation after benzyl nicotinate application in different carriers as measured by EPR oximetry in vivo. J Control Release. 2001 Jan 29;70(1-2):203-11. PubMed PMID: 11166420. 7: Palombo F, Danoux CB, Weinberg PD, Kazarian SG. Measurement of drug and macromolecule diffusion across atherosclerotic rabbit aorta ex vivo by attenuated total reflection-Fourier transform infrared imaging. J Biomed Opt. 2009 Jul-Aug;14(4):044008. doi: 10.1117/1.3174395. PubMed PMID: 19725720. 8: Abramovic Z, Hou H, Julijana K, Sentjurc M, Lariviere JP, Swartz HM, Khan N. Modulation of tumor hypoxia by topical formulations with vasodilators for enhancing therapy. Adv Exp Med Biol. 2011;701:75-82. doi: 10.1007/978-1-4419-7756-4_11. PubMed PMID: 21445772; PubMed Central PMCID: PMC3148803. 9: Wirén K, Frithiof H, Sjöqvist C, Lodén M. Enhancement of bioavailability by lowering of fat content in topical formulations. Br J Dermatol. 2009 Mar;160(3):552-6. doi: 10.1111/j.1365-2133.2008.08981.x. PubMed PMID: 19120336. 10: Andanson JM, Hadgraft J, Kazarian SG. In situ permeation study of drug through the stratum corneum using attenuated total reflectance [corrected] Fourier transform infrared spectroscopic imaging. J Biomed Opt. 2009 May-Jun;14(3):034011. doi: 10.1117/1.3130324. Erratum in: J Biomed Opt. 2009 May-Jun;14(3):039801. PubMed PMID: 19566304. 11: Uchimura T, Kato M, Shiokawa R, Nabuchi Y, Saito K, Kinoshita H. Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition. Biopharm Drug Dispos. 2008 Jul;29(5):308-10. doi: 10.1002/bdd.610. PubMed PMID: 18496881. 12: Kassem MA, Schulte KE. Effect of benzyl nicotinate on the percutaneous absorption of dexamethasone in the rat. Eur J Drug Metab Pharmacokinet. 1980;5(1):25-8. PubMed PMID: 7389748. 13: Erjavec V, Pavlica Z, Sentjurc M, Petelin M. In vivo study of liposomes as drug carriers to oral mucosa using EPR oximetry. Int J Pharm. 2006 Jan 3;307(1):1-8. PubMed PMID: 16257157. 14: Petelin M, Pavlica Z, Bizimoska S, Sentjurc M. In vivo study of different ointments for drug delivery into oral mucosa by EPR oximetry. Int J Pharm. 2004 Feb 11;270(1-2):83-91. PubMed PMID: 14726125. 15: BIRKMAYER W, ROHR C, WERNER H. [Function test of skin capillaries with nicotinic acid benzyl ester solutions]. Wien Klin Wochenschr. 1959 Jun 19;71(25):440-2. German. PubMed PMID: 13676509.

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