MedKoo Cat#: 208239 | Name: R-Norketotifen hydrogen fumarate

Description:

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

R-Norketotifen hydrogen fumarate is the R-atropisomer of norketotifen

Chemical Structure

R-Norketotifen hydrogen fumarate
R-Norketotifen hydrogen fumarate
CAS#930765-16-5 (C4H4O4)

Theoretical Analysis

MedKoo Cat#: 208239

Name: R-Norketotifen hydrogen fumarate

CAS#: 930765-16-5 (C4H4O4)

Chemical Formula: C22H21NO5S

Exact Mass: 411.1140

Molecular Weight: 411.47

Elemental Analysis: C, 64.22; H, 5.14; N, 3.40; O, 19.44; S, 7.79

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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Synonym
R Norketotifen hydrogen fumarate, R-Norketotifen-hydrogen fumarate, R-Norketotifen-hydrogen-fumarate, Rnork
IUPAC/Chemical Name
4-(piperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one fumarate
InChi Key
PDPPFVXCBONTQQ-WLHGVMLRSA-N
InChi Code
InChI=1S/C18H17NOS.C4H4O4/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16;5-3(6)1-2-4(7)8/h1-4,7,10,19H,5-6,8-9,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
SMILES Code
O=C(C1=C/2C=CS1)CC3=CC=CC=C3C2=C4CCNCC/4.O=C(O)/C=C/C(O)=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
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 411.47 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: Zhu X, Xu S, Xu Q. Preparation of valnemulin hydrogen fumarate and its enhanced stability compared with valnemulin hydrochloride. Pharm Dev Technol. 2016;21(3):338-45. doi: 10.3109/10837450.2014.1003656. Epub 2015 Jan 19. PMID: 25597619. 2: Pham DNK, Chadeayne AR, Golen JA, Manke DR. 5-Meth- oxy-N,N-di-n-propyl-tryptamine (5-MeO-DPT): freebase and fumarate. Acta Crystallogr E Crystallogr Commun. 2021 Apr 13;77(Pt 5):522-526. doi: 10.1107/S2056989021003753. PMID: 34026257; PMCID: PMC8100262. 3: Pham DNK, Sammeta VR, Chadeayne AR, Golen JA, Manke DR. 'Foxtrot' fumarate: a water-soluble salt of N,N-di-allyl-5-methoxytryptamine (5-MeO- DALT). Acta Crystallogr E Crystallogr Commun. 2021 Mar 19;77(Pt 4):416-419. doi: 10.1107/S2056989021002838. PMID: 33936768; PMCID: PMC8025863. 4: Chadeayne AR, Pham DNK, Golen JA, Manke DR. Bis(4-hy- droxy-N-isopropyl-N-methyl-trypt-ammo-nium) fumarate: a new crystalline form of miprocin. Acta Crystallogr E Crystallogr Commun. 2020 Mar 10;76(Pt 4):514-517. doi: 10.1107/S2056989020002923. PMID: 32280495; PMCID: PMC7133045. 5: Di Muzio S, Ramondo F, Gontrani L, Ferella F, Nardone M, Benassi P. Choline Hydrogen Dicarboxylate Ionic Liquids by X-ray Scattering, Vibrational Spectroscopy and Molecular Dynamics: H-Fumarate and H-Maleate and Their Conformations. Molecules. 2020 Oct 28;25(21):4990. doi: 10.3390/molecules25214990. PMID: 33126573; PMCID: PMC7663696. 6: Geelhoed JS, Henstra AM, Stams AJ. Carboxydotrophic growth of Geobacter sulfurreducens. Appl Microbiol Biotechnol. 2016 Jan;100(2):997-1007. doi: 10.1007/s00253-015-7033-z. Epub 2015 Oct 19. PMID: 26481622; PMCID: PMC4703632. 7: John J, Balasubramanian T. Z and E isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate. Acta Crystallogr C. 2010 Aug;66(Pt 8):o436-40. doi: 10.1107/S0108270110023206. Epub 2010 Jul 28. PMID: 20679725. 8: DEIBEL RH, KVETKAS MJ. FUMARATE REDUCTION AND ITS ROLE IN THE DIVERSION OF GLUCOSE FERMENTATION BY STREPTOCOCCUS FAECALIS. J Bacteriol. 1964 Oct;88(4):858-64. doi: 10.1128/jb.88.4.858-864.1964. PMID: 14219047; PMCID: PMC314825. 9: Kruse S, Goris T, Westermann M, Adrian L, Diekert G. Hydrogen production by Sulfurospirillum species enables syntrophic interactions of Epsilonproteobacteria. Nat Commun. 2018 Nov 19;9(1):4872. doi: 10.1038/s41467-018-07342-3. PMID: 30451902; PMCID: PMC6242987. 10: Büyükgüngör O, Odabaşoğlu M, Albayrak C, Lönnecke P. 2-Aminopyridinium- fumarate-fumaric acid (2/1/1). Acta Crystallogr C. 2004 Jul;60(Pt 7):o470-2. doi: 10.1107/S0108270104010546. Epub 2004 Jun 12. PMID: 15237166.