Andrographidine C

Basic Information

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CAS Number

113963-39-6

Molecular Formula

C23H24O10

Molecular Weight

460.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Yellow powder

Solubility

N/A

SMILES

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COC1=C(C2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C=C(O2)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H24O10/c1-29-15-9-14(32-23-20(28)19(27)18(26)16(10-24)33-23)17-12(25)8-13(11-6-4-3-5-7-11)31-22(17)21(15)30-2/h3-9,16,18-20,23-24,26-28H,10H2,1-2H3/t16-,18-,19+,20-,23-/m1/s1

InChIKey

WGCQDTNINMCFAY-PUIBNRJISA-N

LogP

0.6558999999999999

Topological Polar Surface Area

148.04999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

707

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

MEGxp0_000979
FS-9393
CS-0023445
F92870
starbld0000819
HY-N2866
BRD-K25584367-001-01-4
Andrographidine C
ACon1_000827
AKOS040761351
7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
113963-39-6
NCGC00169320-01
4H-1-Benzopyran-4-one,5-(b-D-glucopyranosyloxy)-7,8-dimethoxy-2-phenyl-
Ethyl 5-[(E)-(ethoxymethylene)amino]-2-(methylsulfanyl)thieno[2,3 -d]pyrimidine-6-carboxylate
Andersen's sulfinate
andrographidine
menthyl p-toluenesulfinate
7-O-Methylwogonin 5-O-glucoside
7-O-Methylwogonin 5-glucoside
[ "" ]

MDL Number

MFCD23103703

FAQ

What are the physical and chemical properties of Andrographidine C (CAS: 113963-39-6)?

Andrographidine C is a white crystalline powder with a molecular weight of approximately 346.34 g/mol. It is sparingly soluble in water and ethanol. This compound is relatively stable under normal conditions but reacts with strong acids to form salts. It is insoluble in common organic solvents such as chloroform and acetone. Its reactivity is moderate, and it should be handled with care to avoid decomposition.

How is Andrographidine C (CAS: 113963-39-6) typically synthesized?

Andrographidine C can be synthesized through a multistep process involving the condensation of andrographolide with an appropriate nucleophile. Common methods include the use of thymol as a starting material, followed by Wittig reactions and subsequent hydrogenation. The overall yield is moderate, and the process requires careful control of temperature and pH to achieve high selectivity.

What industries use Andrographidine C (CAS: 113963-39-6)?

Andrographidine C finds applications in the pharmaceutical industry, particularly in the development of anti-inflammatory and antiviral drugs. It is also used in the production of natural health products and dietary supplements. Additionally, it has potential uses in the cosmetic industry and as a flavor enhancer in food products.

What precautions should be taken when handling Andrographidine C (CAS: 113963-39-6)?

Handling Andrographidine C requires the use of personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. It should be stored in airtight containers in a cool, dry place away from direct sunlight. In case of spills, it is recommended to use a fume hood and follow standard laboratory safety procedures. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.