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.

See full entry for Cromoglicic acid

Accession Number

DBSALT000985

Structure

Similar Structures

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

External Links

KEGG Drug: D00526
ChemSpider: 25594
ChEBI: 128458
ChEMBL: CHEMBL74

Predicted Properties

Property	Value	Source
Water Solubility	0.0408 mg/mL	ALOGPS
logP	2.3	ALOGPS
logP	1.48	Chemaxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	1.76	Chemaxon
pKa (Strongest Basic)	-3.4	Chemaxon
Physiological Charge	-2	Chemaxon
Hydrogen Acceptor Count	11	Chemaxon
Hydrogen Donor Count	1	Chemaxon
Polar Surface Area	171.55 Å²	Chemaxon
Rotatable Bond Count	8	Chemaxon
Refractivity	135.78 m³·mol^-1	Chemaxon
Polarizability	43.23 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Cromoglicate sodiumProduct ingredient for Cromoglicic acid

Structure for Cromoglicate sodium (DBSALT000985)