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Nedocromil sodium 25mg

CAT: 0628-A21937-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21937-25Size:25 mg
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CAS Number
69049-74-7

Chemical Information

Nedocromil Sodium

Nedocromil sodium is an organic sodium salt. It contains a nedocromil(2-).

CAS Number69049-74-7
PubChem CID50295
IUPAC Namedisodium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate
Molecular FormulaC19H15NNa2O7
Molecular Weight415.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity742
SMILES
CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=C(N2CC)C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2
InChIKey
JQEKDNLKIVGXAU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Nedocromil Sodium
CAS: 69049-74-7
CID: 50295
Formula: C19H15NNa2O7
MW: 415.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass415.06439038
Monoisotopic Mass415.06439038
Topological Polar Surface Area127 Ų
Heavy Atom Count29
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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