Khasianine | CAS No. 32449-98-2

Khasianine

Basic Information

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CAS Number

32449-98-2

Molecular Formula

C39H63NO11

Molecular Weight

721.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1

InChI

InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1

InChIKey

KRQDMAXNTWLTDZ-HCTICQNOSA-N

LogP

1.962900000000002

Topological Polar Surface Area

179.56 Å²

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

1320

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

MS-31237
CS-0020770
MFCD29049450
32449-98-2
CHEMBL446743
SCHEMBL3158089
HY-N2322
AKOS030528264
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
A2-Solamargine
Khasianine
b-D-Glucopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl 4-O-(6-deoxy-a-L-mannopyranosyl)-
beta2-Solamargine
Β2-SOLAMARGINE

MDL Number

MFCD29049450

FAQ

What regulatory guidelines apply to Khasianine (CAS: 32449-98-2)?

Khasianine (CAS: 32449-98-2) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a Category 4 skin sensitiser. In the European Union, it is regulated under REACH, requiring manufacturers and importers to register substances above a certain tonnage. FDA and EPA have not specifically classified Khasianine; however, it may be subject to reporting requirements under the Toxic Substances Control Act (TSCA) if used or manufactured in the United States.

Are there alternatives to Khasianine (CAS: 32449-98-2) in synthesis?

Khasianine (CAS: 32449-98-2) can be synthesized using various analogs and isomers, such as khasianine B or C, which may offer similar biological activity. Common alternative reagents include 2-(2-hydroxyanilino)-1,3,4-thiadiazole and other thiadiazole derivatives. These alternatives can provide similar or enhanced properties for specific applications, depending on the desired end use.

What is the market or research trend for Khasianine (CAS: 32449-98-2)?

The market for Khasianine (CAS: 32449-98-2) is growing due to its potential as an antifungal and antioxidant agent. Research trends focus on its dermatological applications and its ability to induce cell death in cancer cells. Market demand is driven by increasing consumer interest in natural products with potent biological activities. However, further studies are needed to establish its safety and efficacy for broader commercial use.

How should waste containing Khasianine (CAS: 32449-98-2) be handled?

Waste containing Khasianine (CAS: 32449-98-2) should be collected in appropriate containers and stored separately to prevent contamination. Properly incinerate the waste in a licensed facility or use professional waste disposal services. Ensure that environmental protection measures are taken, including neutralizing any residual solvents and treating the waste to meet local disposal regulations. Follow all safety and disposal guidelines to protect both human health and the environment.