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Antileishmanial agent-14

CAT: 0013-GTR19219495-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219495-01Size:25 mg
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Description
Antileishmanial agent-14 is a sulfuretin-derived small molecule that demonstrates potent activity against Leishmania donovani. It inhibits promastigote growth and reduces amastigote infection in vitro, making it a valuable research tool for studying antileishmanial mechanisms and drug discovery.
CAS Number
1638956-72-5
Field of Research
Infectious Disease & Virology
Smiles
O=C\1C=2C (O/C1=C\C3=C (OC) C=CC (OC) =C3) =CC (OCCN4CCCC4) =CC2.Cl
Molecular Formula
C23H26ClNO5
Molecular Weight
431.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antileishmanial agent-14
CAS Number1638956-72-5
PubChem CID118723587
IUPAC Name(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-one;hydrochloride
Molecular FormulaC23H26ClNO5
Molecular Weight431.9
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity588
SMILES
COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCCN4CCCC4.Cl
InChI
InChI=1S/C23H25NO5.ClH/c1-26-17-6-8-20(27-2)16(13-17)14-22-23(25)19-7-5-18(15-21(19)29-22)28-12-11-24-9-3-4-10-24;/h5-8,13-15H,3-4,9-12H2,1-2H3;1H/b22-14-;
InChIKey
UGJKJCCMAUWUTO-YDHFHHHVSA-N
Chemical Structure
2D Structure
2D structure of Antileishmanial agent-14
CAS: 1638956-72-5
CID: 118723587
Formula: C23H26ClNO5
MW: 431.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass431.1499506
Monoisotopic Mass431.1499506
Topological Polar Surface Area57.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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