CAS 15826-37-6|CAS 94470-67-4|disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate|Gynazole|disodium cromoglycate(2-)|Disodium Cromoglycate|FPL-...

General Information

Structure

Molecular Formula

C₂₃H₁₄Na₂O₁₁

Molecular Mass

512.3302

Exact Mass

512.03314983

Charge

InChI

InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2

InChIKey

VLARUOGDXDTHEH-UHFFFAOYSA-L

Canonic Smiles

OC(COc1cccc2c1c(=O)cc(o2)C(=O)[O-])COc1cccc2c1c(=O)cc(o2)C(=O)[O-].[Na+].[Na+]

Isomeric Smiles

c1c2c(c(cc1)OCC(O)COc1cccc3c1c(=O)cc(o3)C(=O)[O-])c(=O)cc(o2)C(=O)[O-].[Na+].[Na+]

Calculated Properties

JChem

Acid pKa

1.7614973

H Acceptors

H Donor

LogD (pH = 5.5)

-4.9068046

LogD (pH = 7.4)

-5.5691595

Log P

1.4770117

Molar Refractivity

135.7809

Polarizability

42.72524

Polar Surface Area

171.55

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

Disodium CromoglycateGynazoleAllergocromFPL-670Cromolyn SodiumDSCGSodium Cromoglycate 5,5’-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic Acid] Disodium SaltCromolyn Disodium SaltAlloptrexNalcrom(3R,4S)-rel-3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-2H-1-benzopyran-6-carbonitrileBRL 34915CROMOLYN[+/-]-trans-6-Cyano-3,4-dihydro-2,2-dimethyl-4-[2-oxopyrrolidin-1-yl]-2H-1-benzopyran-3-ol(+/-)-CromakalimCromoglycateCromoglycic acid

IUPAC name

disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate

IUPAC Traditional name

disodium cromoglycate(2-) dipotassium cromoglycate(2-)

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

EC Number

Registration numbers

Properties

Safety Information

Product Information

Salt Data

sodium salt

2 Na+

Certificate of Analysis

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Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Selleck Chemicals

S1911

Research Area: Inflammation
Biological Activity:

MP Biomedicals

02154996

Sodium Salt

TRC

C795000

Causes vasodilation by activation of potassim channels.

C815000

Chromone complex which blocks mast cell degranulation.

Molecule Details

References

PubChem Literature

From Data Sources

• Spinelli, W., et al.: Eur. J. Pharmacol., 179, 243 (1990)

• Lijnen, P., et al.: Eur. J. Clin. Pharmacol., 37, 609(1989)

• Friday, G.A., et al.: Am. J. Ophthalmol., 95, 169 (1973)

• Ashton, M.J., et al.: Toxicol. Appl. Pharmacol., 26, 319 (1973)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate

IUPAC Traditional name

disodium cromoglycate(2-) dipotassium cromoglycate(2-)

Registration numbers

PubChem SID

PubChem CID

CAS Number

EC Number

Molecule Details

S1911

Research Area: Inflammation
Biological Activity:

MP Biomedicals

02154996

Sodium Salt

TRC

C795000

Causes vasodilation by activation of potassim channels.

C815000

Chromone complex which blocks mast cell degranulation.

References

PubChem Literature

From Data Sources

• Spinelli, W., et al.: Eur. J. Pharmacol., 179, 243 (1990)

• Lijnen, P., et al.: Eur. J. Clin. Pharmacol., 37, 609(1989)

• Friday, G.A., et al.: Am. J. Ophthalmol., 95, 169 (1973)

• Ashton, M.J., et al.: Toxicol. Appl. Pharmacol., 26, 319 (1973)

Bioactivity

PubChem BioAssay

Properties

Safety Information

Product Information

Salt Data

sodium salt

2 Na+

Certificate of Analysis

Download link

Classification

Derivatives & analogs of Natural Compounds

Molecule

ID:73246