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MedKoo Cat#: 413549 | Name: Deramciclane Free Base

Description:

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

Deramciclane Free Base is a non-benzodiazepine-type anxiolytic drug to treat various types of anxiety disorders. Deramciclane is a unique alternative to current anxiolytics on the market because it has a novel chemical structure and target.

Chemical Structure

Deramciclane Free Base
Deramciclane Free Base
CAS#120444-71-5 (free base)

Theoretical Analysis

MedKoo Cat#: 413549

Name: Deramciclane Free Base

CAS#: 120444-71-5 (free base)

Chemical Formula: C20H31NO

Exact Mass: 301.2406

Molecular Weight: 301.47

Elemental Analysis: C, 79.68; H, 10.37; N, 4.65; O, 5.31

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 #
120444-71-5 (free base) 120444-72-6 (fumarate)
Synonym
Deramciclane Free Base
IUPAC/Chemical Name
Ethanamine, N,N-dimethyl-2-(((1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo(2.2.1)hept-2-yl)oxy)-
InChi Key
QOBGWWQAMAPULA-RLLQIKCJSA-N
InChi Code
InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
SMILES Code
CC1(C)[C@]2(C)[C@@](OCCN(C)C)(C3=CC=CC=C3)C[C@@]1([H])CC2
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 301.47 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: Kõks S, Vasar E. Deramciclane (Egis). Curr Opin Investig Drugs. 2002 Feb;3(2):289-94. PMID: 12020062. 2: Naukkarinen H, Raassina R, Penttinen J, Ahokas A, Jokinen R, Koponen H, Lepola U, Kanerva H, Lehtonen L, Pohjalainen T, Partanen A, Mäki-Ikola O, Rouru J; Deramciclane Dose-Finding Study Group. Deramciclane in the treatment of generalized anxiety disorder: a placebo-controlled, double-blind, dose-finding study. Eur Neuropsychopharmacol. 2005 Dec;15(6):617-23. doi: 10.1016/j.euroneuro.2005.03.002. Epub 2005 Jun 9. PMID: 15949921. 3: Kertész S, Kapus G, Gacsályi I, Lévay G. Deramciclane improves object recognition in rats: potential role of NMDA receptors. Pharmacol Biochem Behav. 2010 Feb;94(4):570-4. doi: 10.1016/j.pbb.2009.11.012. Epub 2009 Dec 3. PMID: 19963003. 4: Huupponen R, Anttila M, Rouru J, Kanerva H, Miettinen T, Scheinin M. Pharmacokinetics of deramciclane and N-desmethylderamciclane after single and repeated oral doses in healthy volunteers. Int J Clin Pharmacol Ther. 2004 Aug;42(8):449-55. doi: 10.5414/cpp42449. PMID: 15366325. 5: Laine K, De Bruyn S, Björklund H, Rouru J, Hänninen J, Scheinin H, Anttila M. Effect of the novel anxiolytic drug deramciclane on cytochrome P(450) 2D6 activity as measured by desipramine pharmacokinetics. Eur J Clin Pharmacol. 2004 Feb;59(12):893-8. doi: 10.1007/s00228-003-0714-z. Epub 2004 Jan 17. PMID: 14730412. 6: Kanerva H, Klebovich I, Drabant S, Urtti A, Nevalainen T. Different absorption profiles of deramciclane in man and in dog. J Pharm Pharmacol. 1998 Oct;50(10):1087-93. doi: 10.1111/j.2042-7158.1998.tb03317.x. PMID: 9821653. 7: Ingman K, Sallinen J, Honkanen A, Korpi ER. Comparison of deramciclane to benzodiazepine agonists in behavioural activity of mice and in alcohol drinking of alcohol-preferring rats. Pharmacol Biochem Behav. 2004 Apr;77(4):847-54. doi: 10.1016/j.pbb.2004.02.015. PMID: 15099931. 8: Monostory K, Kohalmy K, Ludányi K, Czira G, Holly S, Vereczkey L, Urmös I, Klebovich I, Kóbori L. Biotransformation of deramciclane in primary hepatocytes of rat, mouse, rabbit, dog, and human. Drug Metab Dispos. 2005 Nov;33(11):1708-16. doi: 10.1124/dmd.105.003764. Epub 2005 Aug 23. PMID: 16118331. 9: Laine K, Ahokoski O, Huupponen R, Hänninen J, Palovaara S, Ruuskanen J, Björklund H, Anttila M, Rouru J. Effect of the novel anxiolytic drug deramciclane on the pharmacokinetics and pharmacodynamics of the CYP3A4 probe drug buspirone. Eur J Clin Pharmacol. 2003 Dec;59(10):761-6. doi: 10.1007/s00228-003-0674-3. Epub 2003 Oct 18. PMID: 14566442. 10: Monostory K, Köhalmy K, Hazai E, Vereczkey L, Kóbori L. Role of CYP2E1 in deramciclane metabolism. Drug Metab Dispos. 2005 Nov;33(11):1717-22. doi: 10.1124/dmd.105.003772. Epub 2005 Jun 2. PMID: 15932955.