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MedKoo Cat#: 413240 | Name: Colocynthin
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Description:

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

Colocynthin is the active medicinal principle of colocynth; a bitter, yellow, crystalline substance, regarded as a glucoside. Colocynthin is cytotoxic with respect to HeLa cells.

Chemical Structure

Colocynthin
CAS#1398-78-3

Theoretical Analysis

MedKoo Cat#: 413240

Name: Colocynthin

CAS#: 1398-78-3

Chemical Formula: C38H54O13

Exact Mass: 718.3564

Molecular Weight: 718.84

Elemental Analysis: C, 63.49; H, 7.57; O, 28.93

Price and Availability

Size Price Availability Quantity
1mg USD 600.00 Back order
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Related CAS #
No Data
Synonym
Colocynthin; Coloside A; Elaterinide
IUPAC/Chemical Name
(R,E)-6-hydroxy-6-((8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl acetate
InChi Key
QKEJRKXVLGOJMB-YYBMGDPWSA-N
InChi Code
InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1
SMILES Code
CC(OC(C)(/C=C/C([C@](O)([C@H]1[C@@H](C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(C[C@]12C)=O)C)C=C(C(C4(C)C)=O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)C)O)C)=O)C)=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
More Info
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 718.84 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: Farid R, Mahnaz K, Ardekani Mohammad Reza S, Börje S, Mahdieh E, Hossein R, Maryam S. Molecularly Imprinted Polymer of Colocynthin, An Effective Tool for Quality Control of Citrullus colocynthis Extracts. Curr Drug Discov Technol. 2017;14(3):169-180. doi: 10.2174/1570163814666170104152226. PMID: 28056731.

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