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Isocromil

CAT: 0931-T202053-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202053-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57009-15-1
Bioactivity
ISOCROMIL, a chromone compound, exhibits anti-allergic properties. It plays a significant role as a mediator release inhibitor in the treatment of passive cutaneous anaphylaxis reactions and is also important as an anti-asthmatic agent.
Smiles
O=C(O)C1=CC=C2OC(=CC(=O)C2=C1)C=3C=CC=CC3OC(C)C
Molecular Formula
C19H16O5
Molecular Weight
324.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isocromil

Isocromil is a small molecule drug. Isocromil has a monoisotopic molecular weight of 324.1 Da.

CAS Number57009-15-1
PubChem CID9973510
IUPAC Name4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carboxylic acid
Molecular FormulaC19H16O5
Molecular Weight324.3
XLogP3.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
CC(C)OC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C19H16O5/c1-11(2)23-16-6-4-3-5-13(16)18-10-15(20)14-9-12(19(21)22)7-8-17(14)24-18/h3-11H,1-2H3,(H,21,22)
InChIKey
YLQMFQKRHQCFBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isocromil
CAS: 57009-15-1
CID: 9973510
Formula: C19H16O5
MW: 324.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass324.09977361
Monoisotopic Mass324.09977361
Topological Polar Surface Area72.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
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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