Chelidonic acid 1-hydrate
Product Information
Molecular Formula
C7H4O6.H2O
Molecular Weight
202.12
Description
Chelidonic acid 1-hydrate is a multifaceted biomedicine chemical that finds its application in the therapeutic intervention of diverse ailments. Functioning as an efficacious chelating agent, it facilitates the elimination of toxic heavy metals from the physiological system. Moreover, its commendable attributes encompass antioxidative and anti-inflammatory potential, thus conferring advantages in mitigating conditions associated with oxidative stress and inflammation.
Synonyms
CHELIDONIC ACID MONOHYDRATE; 4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID MONOHYDRATE; CHELIDONIC ACID 1-HYDRATE; Chelidonic acid monohydrate,96%
IUPAC Name
4-oxopyran-2,6-dicarboxylic acidhydrate
SMILES
C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O
InChI
InChI=1S/C7H4O6.H2O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)1H2
InChI Key
KJZJAKSEIQOKAK-UHFFFAOYSA-N
Melting Point
265 °C
Purity
technical
Appearance
White to Orange to Green powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
202.01135253 g/mol
Monoisotopic Mass
202.01135253 g/mol
Topological Polar Surface Area
102Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
316
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| TW-202138395-A | Curable resin composition, cured film and display device | 2020-03-31 |
| TW-202138539-A | Curable resin composition, cured film and display device | 2020-03-31 |
| CN-109970778-A | Metal organic structure body and its manufacturing method | 2017-12-27 |
| JP-2019116463-A | Metal organic structure and method for producing the same | 2017-12-27 |
| US-2019194232-A1 | Metal-organic framework and method of producing the same | 2017-12-27 |
| CN-109970778-B | Metal organic structure and method for producing same | 2017-12-27 |
| US-11008347-B2 | Metal-organic framework and method of producing the same | 2017-12-27 |
| US-2016207793-A1 | Rare earth adsorbent and rare earth adsorption method using the same | 2015-01-16 |
| US-9731981-B2 | Rare earth adsorbent and rare earth adsorption method using the same | 2015-01-16 |
| US-2013299423-A1 | Modular Assembly of Metal-Organic Super-Containers Incorporating Calixarenes | 2012-04-13 |
