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Isocromil

CAT: 0013-GTR19242504-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242504-01Size:10 mg
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Description
ISOCROMIL is a chromone-based small molecule with anti-allergic and anti-asthmatic properties, functioning as a mediator release inhibitor. It has been utilized in research models, including in vivo studies of passive cutaneous anaphylaxis and in vitro assays investigating mast cell stabilization.
CAS Number
57009-15-1
Smiles
O=C (O) C1=CC=C2OC (=CC (=O) C2=C1) C=3C=CC=CC3OC (C) C
Molecular Formula
C19H16O5
Molecular Weight
324.33
Storage Conditions
-20°C
Notes
For research use only.

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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CatalogName
452556-01Isocromil

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