Colocynthin | CAS No. 1398-78-3

Colocynthin

Basic Information

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CAS Number

1398-78-3

Molecular Formula

C8H6Cl2N2O2S

Molecular Weight

265.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

158-160 ºC

Solubility

Insuluble (2.8E-3 g/L) (25 ºC),

Specific Rotation

D +50° (c = 0.4 in ethanol)

SMILES

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CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O

InChI

InChI=1S/C8H6Cl2N2O2S/c1-4-11-7-2-5(9)6(10)3-8(7)15(13,14)12-4/h2-3H,1H3,(H,11,12)

InChIKey

NJMWRGDFOPSHPX-UHFFFAOYSA-N

LogP

2.5260000000000007

Topological Polar Surface Area

58.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

1580

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Synonyms & References

English

Cucurbitacin E-2-O-Glucoside
[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta
colocynthin
Coloside A
Cueg
EINECS 215-745-9
Elaterinide
2-β-glucopyranoside
Elaterin
Gratiotoxin
Cocillana
α-Elaterin 2-D-glucopyranoside
alpha-Elaterin 2-D-glucopyranoside
2-O-β-D-Glucopyranosylcucurbitacin E
QKEJRKXVLGOJMB-YYBMGDPWSA-N
UNII-6984R18595
Cucurbitacin E-2-O-glucoside
6984R18595
25-(ACETYLOXY)-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-16,20-DIHYDROXY-9-METHYL-19-NORLANOSTA-1,5,23-TRIENE-3,11,22-TRIONE
[(E,6R)-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)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate
COLOCYNTHIN [MI]
Elaterinide, >=95% (LC/MS-ELSD)
cucurbitacin E 2-O-beta-D-glucopyranoside
Cucurbitacin E 2-O-Glucoside (Elaterinide)
Elaterinide (Colocynthin)
(4R,9beta,16alpha,23E)-2-(beta-D-glucopyranosyloxy)-16,20-dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-25-yl acetate
Colocynthin
Q27137271
DTXSID101014465
.ALPHA.-ELATERIN 2-D-GLUCOPYRANOSIDE
beta-Glucoside de LA curcurbitaine (E)

MDL Number

MFCD00046215

FAQ

What regulatory guidelines apply to Colocynthin (CAS: 1398-78-3)?

Colocynthin (CAS: 1398-78-3) is regulated under the Global Harmonized System (GHS) for classification and labeling of chemical substances. In the European Union, it must comply with REACH regulations. For use in the United States, it is subject to FDA and EPA regulations.

Are there alternatives to Colocynthin (CAS: 1398-78-3) in synthesis?

In synthesis, alternatives to Colocynthin (CAS: 1398-78-3) include similar alkaloids like saponin and other natural compounds. Common alternative reagents include sodium hydroxide and potassium hydroxide. Isomers and analogs can also be used as substitutes depending on the specific application.

What is the market or research trend for Colocynthin (CAS: 1398-78-3)?

Market trends for Colocynthin (CAS: 1398-78-3) show growing interest in its medicinal properties, particularly in traditional medicine. Research trends focus on its potential as an anti-inflammatory and anticancer agent. Demand is expected to rise with ongoing studies and regulatory approvals.

How should waste containing Colocynthin (CAS: 1398-78-3) be handled?

Waste containing Colocynthin (CAS: 1398-78-3) should be collected in suitable containers and disposed of through professional waste disposal services. Incineration is a common method, but precautions must be taken to minimize environmental impact. Ensure all waste handling complies with local and international environmental regulations.