Scopoline | CAS#487-27-4 | Tropane alkaloid

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

MedKoo CAT#: 112033

CAS#: 487-27-4

Description: Scopoline is a tropane alkaloid that has been found in a D. candida hybrid.

Chemical Structure

Scopoline

CAS# 487-27-4

Instruction

Theoretical Analysis

MedKoo Cat#: 112033
Name: Scopoline
CAS#: 487-27-4
Chemical Formula: C8H13NO2
Exact Mass: 155.09
Molecular Weight: 155.200
Elemental Analysis: C, 61.91; H, 8.44; N, 9.03; O, 20.62

Price and Availability

Size	Price	Availability
25mg	USD 230	2 Weeks
50mg	USD 460	2 Weeks
100mg	USD 700	2 Weeks
250mg	USD 1000	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Scopoline

IUPAC/Chemical Name: (2S,3aR,5S,6S,6aS)-4-methylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-6-ol

InChi Key: MEGPURSNXMUDAE-RLMOJYMMSA-N

InChi Code: InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8-/m0/s1

SMILES Code: [H][C@@]12O[C@H](C[C@@]32[H])C[C@@H]([C@@H]1O)N3C

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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	2.0	12.89
	DMSO	1.0	6.44
	Ethanol	3.0	19.33
	PBS (pH: 7.2)	5.0	32.22

Preparing Stock Solutions

The following data is based on the product molecular weight 155.20 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.

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Écija P, Cocinero EJ, Lesarri A, Basterretxea FJ, Fernández JA, Castaño F. The distorted tropane of scopoline. Chemphyschem. 2013 Jun 24;14(9):1830-5. doi: 10.1002/cphc.201300199. Epub 2013 May 2. PMID: 23640872.

2: Deng H, Yin Q, Lin Y, Feng J, Chen Z, Zhang R. Analysis on quality differences associated with metabolomics of rambutan during different temperature storage. Food Chem (Oxf). 2021 Aug 5;3:100036. doi: 10.1016/j.fochms.2021.100036. PMID: 35415667; PMCID: PMC8991860.

3: Écija P, Vallejo-López M, Uriarte I, Basterretxea FJ, Lesarri A, Fernández JA, Cocinero EJ. Scopine Isolated in the Gas Phase. Chemphyschem. 2016 Oct 5;17(19):3030-3034. doi: 10.1002/cphc.201600368. Epub 2016 Jul 28. PMID: 27338110.

4: Lesiak AD, Cody RB, Dane AJ, Musah RA. Plant seed species identification from chemical fingerprints: a high-throughput application of direct analysis in real time mass spectrometry. Anal Chem. 2015 Sep 1;87(17):8748-57. doi: 10.1021/acs.analchem.5b01611. Epub 2015 Aug 18. PMID: 26237339.

5: Marín-Sáez J, Romero-González R, Garrido Frenich A. Multi-analysis determination of tropane alkaloids in cereals and solanaceaes seeds by liquid chromatography coupled to single stage Exactive-Orbitrap. J Chromatogr A. 2017 Oct 6;1518:46-58. doi: 10.1016/j.chroma.2017.08.052. Epub 2017 Aug 25. PMID: 28870544.

6: Scheurlen M, Bittiger H, Ammann B. Simple radioligand binding assay for the determination of urinary scopolamine. J Pharm Sci. 1984 Apr;73(4):561-3. doi: 10.1002/jps.2600730432. PMID: 6726646.

7: Bayne WF, Tao FT, Crisologo N. Submicrogram assay for scopolamine in plasma and urine. J Pharm Sci. 1975 Feb;64(2):288-91. doi: 10.1002/jps.2600640220. PMID: 1127604.

8: Eiden F, Kainz A. ZNS-Wirkstoffe: Synthese und Eigenschaften von 3-Anilino-8-oxatropanen [CNS-agents: synthesis and properties of 3-anilino-8-oxatropanes]. Arch Pharm (Weinheim). 1992 Jan;325(1):17-22. German. doi: 10.1002/ardp.19923250106. PMID: 1605709.

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