Products for Research Use Only

Minocromil

CAT: 0013-GTR19203337-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203337-03Size:100 mg
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Description
Minocromil is a small molecule anti-asthmatic agent for research use. It functions as a mast cell stabilizer and has been investigated in vitro and in vivo for its potential to inhibit bronchoconstriction and inflammatory mediator release.
CAS Number
85118-44-1
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CC) C=1C2=C (C (NC) =CC (C (O) =O) =N2) C=C3C1OC (C (O) =O) =CC3=O
Molecular Formula
C18H16N2O6
Molecular Weight
356.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Minocromil

Minocromil is a pyridochromene.

CAS Number85118-44-1
PubChem CID71448
IUPAC Name6-(methylamino)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
Molecular FormulaC18H16N2O6
Molecular Weight356.3
XLogP2.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity633
SMILES
CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=CC(=N2)C(=O)O)NC
InChI
InChI=1S/C18H16N2O6/c1-3-4-8-15-9(11(19-2)6-12(20-15)17(22)23)5-10-13(21)7-14(18(24)25)26-16(8)10/h5-7H,3-4H2,1-2H3,(H,19,20)(H,22,23)(H,24,25)
InChIKey
RMPRGCBYQSAAAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Minocromil
CAS: 85118-44-1
CID: 71448
Formula: C18H16N2O6
MW: 356.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.3
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass356.10083623
Monoisotopic Mass356.10083623
Topological Polar Surface Area126 Ų
Heavy Atom Count26
Formal Charge0
Complexity633
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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