Calcium Dobesilate Hydrate - ≥98%(HPLC) , CAS No.117552-78-0

CAS: 117552-78-0 Cat. No.: C153267 Summenformel: C₁₂H₁₀CaO₁₀S₂·xH₂O Molekulargewicht: 418.4

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

Calcium Dobesilate Hydrate|Calcium dobesilate monohydrate|calcium;2,5-dihydroxybenzenesulfonate;hydrate|calcium 2,5-dihydroxybenzenesulfonate hydrate|Calcium dobesilate monohydrate [EP]|Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt, hydrate (2:1:1)|Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt, monohydrate|CALCIUM DOBESILATE MONOHYDRATE [EP MONOGRAPH]|Calcium Dobesilate Monohydrate; Calcium di(2,5-dihydroxybenzenesulfonate) monohydrate

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

Calcium Dobesilate Hydrate | Calcium dobesilate monohydrate | calcium;2,5-dihydroxybenzenesulfonate;hydrate | calcium 2,5-dihydroxybenzenesulfonate hydrate | Calcium dobesilate monohydrate [EP] | Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt, hydrate (2:1:1) | Benzenesulfonic acid, 2,5-dihydroxy-, calcium salt, monohydrate | CALCIUM Show more

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504770575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770575

Kanonisches Lächeln

C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.O.[Ca+2]

IUPAC Name

calcium;2,5-dihydroxybenzenesulfonate;hydrate

InChIKey

JMTQBGBMQZPWCS-UHFFFAOYSA-L

INCHI

1S/2C6H6O5S.Ca.H2O/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;;/h2*1-3,7-8H,(H,9,10,11);;1H2/q;;+2;/p-2

Isomere SMILES

C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.O.[Ca+2]

RTECS

DB6127000

Molekulargewicht

418.4

Reaxy-Rn

31639608

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31639608&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organic calcium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic calcium salt - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water; Soluble in Alcohol; Insoluble in Benzene,Ether,Chloroform
• Empfindlichkeit: light & Moisture sensitive.
• Molekulargewicht: 436.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 435.945 Da
• Monoisotopic Mass: 435.945 Da
• Topological Polar Surface Area: 213.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 228.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 117552-78-0, the molecular formula is C12H10CaO10S2·xH2O, and the molecular weight is 418.4 g/mol. InChIKey JMTQBGBMQZPWCS-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.