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MedKoo Cat#: 318071 | Name: Isometheptene

Description:

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

Isometheptene (usually as isometheptene mucate) is a sympathomimetic amine sometimes used in the treatment of migraines and tension headaches due to its vasoconstricting properties—it causes constriction of blood vessels. Isometheptene is one of the constituents of Amidrine, along with paracetamol, dichloralphenazone, and dimethylamylamine.

Chemical Structure

Isometheptene
Isometheptene
CAS#503-01-5

Theoretical Analysis

MedKoo Cat#: 318071

Name: Isometheptene

CAS#: 503-01-5

Chemical Formula: C9H19N

Exact Mass: 141.1517

Molecular Weight: 141.25

Elemental Analysis: C, 76.53; H, 13.56; N, 9.92

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Isometheptene, Octin, Isonyl, Octon, Midrid
IUPAC/Chemical Name
N,6-dimethylhept-5-en-2-amine
InChi Key
XVQUOJBERHHONY-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
SMILES Code
CC(NC)CC/C=C(C)\C
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, not in water
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 141.25 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: de Souza Carvalho D, Barea LM, Kowacs PA, Fragoso YD. Efficacy and tolerability of combined dipyrone, isometheptene and caffeine in the treatment of mild-to-moderate primary headache episodes. Expert Rev Neurother. 2012 Feb;12(2):159-67. doi: 10.1586/ern.11.193. PubMed PMID: 22288671. 2: Johnston JC. Life threatening intracerebral hemorrhage with isometheptene mucate, dichlorophenazine and acetaminophen combination therapy. J Forensic Leg Med. 2009 Nov;16(8):489-91. doi: 10.1016/j.jflm.2009.07.006. Epub 2009 Aug 13. PubMed PMID: 19782324. 3: Campos CR, Yamamoto FI. Intracerebral hemorrhage in postpartum cerebral angiopathy associated with the use of isometheptene. Int J Gynaecol Obstet. 2006 Nov;95(2):151-2. Epub 2006 Sep 25. PubMed PMID: 16999965. 4: Valdivia LF, Centurión D, Perusquía M, Arulmani U, Saxena PR, Villalón CM. Pharmacological analysis of the mechanisms involved in the tachycardic and vasopressor responses to the antimigraine agent, isometheptene, in pithed rats. Life Sci. 2004 May 14;74(26):3223-34. PubMed PMID: 15094323. 5: Willems EW, Valdivia LF, Saxena PR, Villalón CM. Pharmacological profile of the mechanisms involved in the external carotid vascular effects of the antimigraine agent isometheptene in anaesthetised dogs. Naunyn Schmiedebergs Arch Pharmacol. 2001 Jul;364(1):27-32. PubMed PMID: 11485035. 6: Freitag FG, Cady R, DiSerio F, Elkind A, Gallagher RM, Goldstein J, Klapper JA, Rapoport AM, Sadowsky C, Saper JR, Smith TR. Comparative study of a combination of isometheptene mucate, dichloralphenazone with acetaminophen and sumatriptan succinate in the treatment of migraine. Headache. 2001 Apr;41(4):391-8. PubMed PMID: 11318886. 7: Levine BS, Caplan YH. Isometheptene cross reacts in the EMIT amphetamine assay. Clin Chem. 1987 Jul;33(7):1264-5. PubMed PMID: 3297426. 8: Gullo L, Priori P, Daniele C, Ventrucci M, Pezzilli R, Labo G. Inhibition of pancreatic exocrine secretion and bile entry into the duodenum by isometheptene, a sympathomimetic agent. Dig Dis Sci. 1985 Feb;30(2):114-8. PubMed PMID: 3967559. 9: Naim U, Maceo G, Di Trapani G. [Isometheptene in the treatment of painful gastroenterological disorders]. Clin Ter. 1982 Aug 15;102(3):267-71. Italian. PubMed PMID: 7140180. 10: Taylor WG, Coutts RT. Studies on isometheptene metabolism. Identification and stereochemistry of a major metabolite isolated from rat urine. Drug Metab Dispos. 1977 Nov-Dec;5(6):564-71. PubMed PMID: 21780. 11: Lyris E, Tsiakatouras G, Angelis Y, Koupparis M, Spyridaki MH, Georgakopoulos C. Metabolism of isometheptene in human urine and analysis by gas chromatography-mass spectrometry in doping control. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Dec 5;827(2):199-204. Epub 2005 Oct 19. PubMed PMID: 16242387. 12: Wineinger MA, Basford JR. Autonomic dysreflexia due to medication: misadventure in the use of an isometheptene combination to treat migraine. Arch Phys Med Rehabil. 1985 Sep;66(9):645-6. PubMed PMID: 4038034. 13: Baldassarre G, Vasti MP, Carrieri V, Acquaviva M, Palasciano G. [Effects of isometheptene on gallbladder contraction]. Boll Soc Ital Biol Sper. 1983 Sep 30;59(9):1278-84. Italian. PubMed PMID: 6626361. 14: Spierings EL, Saxena PR. Effect of isometheptene on the distribution and shunting of 15 microM microspheres throughout the cephalic circulation of the cat. Headache. 1980 Mar;20(2):103-6. PubMed PMID: 7372473. 15: Behan PO. Isometheptene compound in the treatment of vascular headache. Practitioner. 1978 Dec;221(1326):937-9. PubMed PMID: 372936. 16: Plakogiannis FM, Saad AM. Simultaneous GLC determination of acetaminophen, dichloralantipyrine, and isometheptene mucate. J Pharm Sci. 1977 Apr;66(4):604-5. PubMed PMID: 856984. 17: Diamond S. Treatment of migraine with isometheptene, acetaminophen, and dichloralphenazone combination: a double-blind, crossover trial. Headache. 1976 Jan;15(4):282-7. PubMed PMID: 1107267. 18: Diamond S, Medina JL. Isometheptene--a non-ergot drug in the treatment of migraine. Headache. 1975 Oct;15(3):211-3. PubMed PMID: 1100566. 19: Yuill GM, Swinburn WR, Liversedge LA. A double-blind crossover trial of isometheptene mucate compound and ergotamine in migraine. Br J Clin Pract. 1972 Feb;26(2):76-9. PubMed PMID: 4552744.

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OPC-6