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Acrophylline

CAT: 0931-TN10728-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10728-02Size:50 mg
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CAS Number
18904-40-0
Bioactivity
Acrophylline is an anti-allergic compound that inhibits mast cell degranulation. It reduces plasma leakage in the passive cutaneous anaphylaxis (PCA) reaction in mouse ears. This alkaloid can be isolated from acronychia haplophylla.
Smiles
O=C1C=2C=COC2N(C3=CC(OC)=CC=C13)CC=C(C)C
Molecular Formula
C17H17NO3
Molecular Weight
283.322
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acrophylline

Acrophylline is a quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively. It has a role as a plant metabolite. It is a quinoline alkaloid, an aromatic ether, an olefinic compound and a furoquinoline.

CAS Number18904-40-0
PubChem CID87840
IUPAC Name7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one
Molecular FormulaC17H17NO3
Molecular Weight283.32
XLogP4
Topological Polar Surface Area42.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity430
SMILES
CC(=CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)C
InChI
InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3
InChIKey
GARIOWCJZYSSOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acrophylline
CAS: 18904-40-0
CID: 87840
Formula: C17H17NO3
MW: 283.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.32
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass283.12084340
Monoisotopic Mass283.12084340
Topological Polar Surface Area42.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity430
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

Alternative Products

CatalogName
GTR19256490-01Acrophylline

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