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Amikhellin HCl

CAT: 0013-GTR19210630-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210630-02Size:50 mg
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Description
Amikhellin HCl is a water-soluble synthetic derivative of the khellin alkaloid, acting as a DNA intercalator and inhibitor of viral DNA polymerase. It has been investigated in vitro for its antimitotic and vasodilatory properties, with research applications in oncology and virology studies.
CAS Number
40709-23-7
Smiles
O (CCN (CC) CC) C=1C2=C (C (O) =C3C1OC=C3) C (=O) C=C (C) O2.Cl
Molecular Formula
C18H22ClNO5
Molecular Weight
367.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amikhellin hydrochloride
CAS Number40709-23-7
PubChem CID23620646
IUPAC Name9-[2-(diethylamino)ethoxy]-4-hydroxy-7-methylfuro[3,2-g]chromen-5-one;hydrochloride
Molecular FormulaC18H22ClNO5
Molecular Weight367.8
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity490
SMILES
CCN(CC)CCOC1=C2C(=C(C3=C1OC(=CC3=O)C)O)C=CO2.Cl
InChI
InChI=1S/C18H21NO5.ClH/c1-4-19(5-2)7-9-23-18-16-12(6-8-22-16)15(21)14-13(20)10-11(3)24-17(14)18;/h6,8,10,21H,4-5,7,9H2,1-3H3;1H
InChIKey
ZECDVNFXFXCUPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amikhellin hydrochloride
CAS: 40709-23-7
CID: 23620646
Formula: C18H22ClNO5
MW: 367.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass367.1186505
Monoisotopic Mass367.1186505
Topological Polar Surface Area72.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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