Dehydroandrographolide succinate

Base Information

• Chemical Name: Dehydroandrographolide succinate
• CAS No.: 786593-06-4
• Molecular Formula: C28H36O10
• Molecular Weight: 532.588
• UNII: 0X50BP49M1
• DSSTox Substance ID: DTXSID901026359
• Nikkaji Number: J3.445.292J
• ChEMBL ID: CHEMBL3040746
• Mol file: 786593-06-4.mol

Synonyms:Dehydroandrographolide succinate;786593-06-4;DEHYDROANDROGRAPHOLIDESUCCINATE;UNII-0X50BP49M1;0X50BP49M1;14-Deoxy-11,12-didehydroandrographolide bis(hemisuccinate);4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid;Butanedioic acid, 1-(((1R,2R,4aR,5R,8aS)-2-(3-carboxy-1-oxopropoxy)-5-((1E)-2-(2,5-dihydro-2-oxo-3-furanyl)ethenyl)decahydro-1,4a-dimethyl-6-methylene-1-naphthalenyl)methyl) ester;CHEMBL3040746;SCHEMBL14958695;DTXSID901026359;HY-N0677;MFCD10566633;s9224;AKOS037515374;CCG-269928;AC-34800;BS-45359;CS-0009708;14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE SUCCINATE;4-(((1R,2R,4aR,5R,8aS)-2-((3-Carboxypropanoyl)oxy)-1,4a-dimethyl-6-methylene-5-((E)-2-(2-oxo-2,5-dihydrofuran-3-yl)vinyl)decahydronaphthalen-1-yl)methoxy)-4-oxobutanoic acid

Chemical Property of Dehydroandrographolide succinate

Chemical Property:

• Vapor Pressure: 1.48E-23mmHg at 25°C
• Melting Point: 136-138oC
• Refractive Index: 1.562
• Boiling Point: 733.8 °C at 760 mmHg
• PKA: 4.41±0.17(Predicted)
• Flash Point: 239.1 °C
• PSA: 153.50000
• Density: 1.29 g/cm³
• LogP: 3.59920
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 532.23084734
• Heavy Atom Count: 38
• Complexity: 1060

Purity/Quality:

98%,99%, ^*data from raw suppliers

DehydroandrographolideSuccinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(C(C1CCC(=C)C2C=CC3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O
• Isomeric SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O
• Uses: Dehydroandrographolide Succinate is a traditional Chinese medicine used in the treatment of pneumonia, respiratory tract infection.

Technology Process of Dehydroandrographolide succinate

There total 1 articles about Dehydroandrographolide succinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.6%

succinic acid anhydride (108-30-5) + andrographolide (142037-79-4,5508-58-7) → succinic acid (110-15-6) + dehydroandrographolide succinate (786593-06-4)

Guidance literature:

andrographolide; With sodium sulfite; UV-irradiation;

succinic acid anhydride; With pyridine; for 0.03h; Microwave irradiation;

DOI:10.1080/00397910902777987

Reference yield: 82.4%

dehydroandrographolide succinate (786593-06-4) → potassium dehydroandrographolide succinate

Guidance literature:

With potassium hydrogencarbonate; In ethanol; water; at 30 ℃; for 4h; Large scale;

upstream raw materials:

succinic acid anhydride

andrographolide

Refernces