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

MedKoo CAT#: 527063

CAS#: 55453-87-7

Description: Isoxepac, also known as Olopatadine USP Related Compound C, is a non-steroidal anti-antiphlogistic agent and analgesic.


Chemical Structure

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Isoxepac
CAS# 55453-87-7

Theoretical Analysis

MedKoo Cat#: 527063
Name: Isoxepac
CAS#: 55453-87-7
Chemical Formula: C16H12O4
Exact Mass: 268.0736
Molecular Weight: 268.268
Elemental Analysis: C, 71.64; H, 4.51; O, 23.86

Price and Availability

Size Price Availability Quantity
1.0g USD 230.0 2 Weeks
5.0g USD 440.0 2 Weeks
10.0g USD 700.0 2 Weeks
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Synonym: Isoxepac, Olopatadine USP Related Compound C

IUPAC/Chemical Name: 2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid

InChi Key: QFGMXJOBTNZHEL-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)

SMILES Code: O=C(O)CC1=CC=C(C2=C1)OCC3=CC=CC=C3C2=O

Appearance: Solid powder

Purity: >98% (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

Preparing Stock Solutions

The following data is based on the product molecular weight 268.268 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

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1: Han YC, Zhang YD, Jia Q, Cui J, Zhang C. Hypervalent-Iodine-Mediated Ring-Contraction Monofluorination Affording Monofluorinated Five-Membered Ring-Fused Oxazolines. Org Lett. 2017 Oct 6;19(19):5300-5303. doi: 10.1021/acs.orglett.7b02479. Epub 2017 Sep 19. PubMed PMID: 28926269.

2: Lenz EM, Greatbanks D, Wilson ID, Spraul M, Hofmann M, Troke J, Lindon JC, Nicholson JK. Direct characterization of drug glucuronide isomers in human urine by HPLC-NMR spectroscopy: application to the positional isomers of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid glucuronide. Anal Chem. 1996 Sep 1;68(17):2832-7. PubMed PMID: 8794920.

3: Sidelmann UG, Lenz EM, Spraul M, Hofmann M, Troke J, Sanderson PN, Lindon JC, Wilson ID, Nicholson JK. 750 MHz HPLC-NMR spectroscopic studies on the separation and characterization of the positional isomers of the glucuronides of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid. Anal Chem. 1996 Jan 1;68(1):106-10. PubMed PMID: 8779427.

4: Mitchell H, Barraclough D, Muirden KD. Blood-loss studies for new non-steroidal anti-inflammatory drugs. Med J Aust. 1982 Apr 17;1(8):328. PubMed PMID: 6979672.

5: Honig WJ, Pelgrom R, Chadha DR. Analgesic effect of isoxepac on postmeniscectomy pain: a controlled trial. J Clin Pharmacol. 1982 Feb-Mar;22(2-3):82-8. PubMed PMID: 7040500.

6: Scott J, Huskisson EC. Analgesic action of isoxepac. Rheumatol Rehabil. 1982 Feb;21(1):48-50. PubMed PMID: 7036322.

7: Illing HP, Wilson ID. pH dependent formation of beta-glucuronidase resistant conjugates from the biosynthetic ester glucuronide of isoxepac. Biochem Pharmacol. 1981 Dec 15;30(24):3381-4. PubMed PMID: 7326052.

8: Hundt HK, Brown LW. Determination of 6,11-dihydro-11-dibenz[b,e]oxepin-2-acetic acid (isoxepac) in plasma by high-performance liquid chromatography. J Chromatogr. 1981 Oct 9;225(2):482-7. PubMed PMID: 7298784.

9: Huston GJ. Local buccal mucosal effects of aspirin, indomethacin and isoxepac: their relationship to gastrointestinal damage. Br J Clin Pharmacol. 1981 May;11(5):528-30. PubMed PMID: 7272169; PubMed Central PMCID: PMC1401587.

10: Gerlis LS, Gumpel JM. Isoxepac in rheumatoid arthritis: a double-blind comparison with aspirin. Rheumatol Rehabil. 1981 Feb 1;20(1):50-3. PubMed PMID: 7013009.

11: Svendsen LB, Hansen OH, Johansen A. A comparison of the effects of HP 549 (Isoxepac), indomethacin and acetylsalicylic acid (Aspirin) on gastric mucosa in man. Scand J Rheumatol. 1981;10(3):186-8. PubMed PMID: 7027432.

12: Slack JA. Determination of isoxepac in plasma by high-performance liquid chromatography. J Chromatogr. 1980 Dec 12;221(2):431-4. PubMed PMID: 7217314.

13: Pulkkinen MO. Relief of menstrual discomfort and dysmenorrhea and simultaneous suppression of uterine activity by isoxepac. Acta Obstet Gynecol Scand. 1980;59(4):367-70. PubMed PMID: 7445998.

14: Illing HP, Fromson JM. Species differences in the disposition and metabolism of 6,11-dihydro-11-oxodibenz[be]oxepin-2-acetic acid (isoxepac) in rat, rabbit, dog, rhesus monkey, and man. Drug Metab Dispos. 1978 Sep-Oct;6(5):510-7. PubMed PMID: 30600.

15: Bryce TA, Burrows JL. Quantitative analysis of 6,11-dihydro-11-oxo-dibenz[b,e] oxepin-2-acetic acid (isoxepac) in plasma and urine by gas--liquid chromatography. J Chromatogr. 1978 May 1;145(3):393-400. PubMed PMID: 659525.