Cromoglicate sodiumProduct ingredient for Cromoglicic acid

Name
Cromoglicate sodium
Drug Entry
Cromoglicic acid

A chromone complex that acts by inhibiting the release of chemical mediators from sensitized mast cells. It is used in the prophylactic treatment of both allergic and exercise-induced asthma, but does not affect an established asthmatic attack.

Accession Number
DBSALT000985
Structure
Thumb
Synonyms
Cromolyn disodium salt / Cromolyn sodium / Disodium cromoglycate / Disodium cromolyn / Natrium cromoglicat / Sodium cromoglicate / Sodium cromoglycate
External IDs
FPL-670 / FPL.670 / NSC-109500
UNII
Q2WXR1I0PK
CAS Number
15826-37-6
Weight
Average: 512.334
Monoisotopic: 512.03314983
Chemical Formula
C23H14Na2O11
InChI Key
VLARUOGDXDTHEH-UHFFFAOYSA-L
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
IUPAC Name
disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate
SMILES
[Na+].[Na+].OC(COC1=C2C(=O)C=C(OC2=CC=C1)C([O-])=O)COC1=C2C(=O)C=C(OC2=CC=C1)C([O-])=O
KEGG Drug
D00526
ChemSpider
25594
ChEBI
128458
ChEMBL
CHEMBL74
Predicted Properties
PropertyValueSource
Water Solubility0.0408 mg/mLALOGPS
logP2.3ALOGPS
logP1.48ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)1.76ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area171.55 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity135.78 m3·mol-1ChemAxon
Polarizability43.23 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon