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Sodium Cromoglicate EP Impurity B

CAT: 1596-AR-C03707-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03707-01Size:10 Units
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CAS Number
16150-45-1
Synonyms
Diethyl 5,5'- ((2-hydroxypropane-1,3-diyl) bis (oxy) ) bis (4-oxo-4H-chromene-2-carboxylate) ;5,5'-[ (2-Hydroxy-1,3-propanediyl) bis (oxy) ]bis[4-oxo-4H-1-benzopyran-2-carboxylic Acid 2,2'-Diethyl Ester; 5,5'-[ (2-Hydroxy-1,3-propanediyl) bis (oxy) ]bis[4-oxo-4H-1-benzopyran-2-carboxylic Acid Diethyl Ester; 5,5'-[ (2-Hydroxytrimethylene) dioxy]bis[4-oxo-4H-1-benzopyran-2-carboxylic Acid Diethyl Ester; Cromoglycic Acid Diethyl Ester; Cromophene
Molecular Formula
C27H24O11
Molecular Weight
524.48
API Name
Cromoglicic Acid

Chemical Information

4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo) diethyl ester
CAS Number16150-45-1
PubChem CID204318
IUPAC Nameethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Molecular FormulaC27H24O11
Molecular Weight524.5
XLogP3.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity894
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)O
InChI
InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3
InChIKey
KRBBSLDXYDBFEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo) diethyl ester
CAS: 16150-45-1
CID: 204318
Formula: C27H24O11
MW: 524.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass524.13186158
Monoisotopic Mass524.13186158
Topological Polar Surface Area144 Ų
Heavy Atom Count38
Formal Charge0
Complexity894
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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