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LY 303511 hydrochloride

CAT: 0607-B8771-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B8771-25Size:25 mg
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CAS Number
2070014-90-1
Product Name Alternative
8-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one hydrochloride
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O=C(C1=CC=CC(C2=CC=CC=C2)=C1O3)C=C3N4CCNCC4.Cl
Molecular Formula
C19H19ClN2O2
Molecular Weight
342.82
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

LY303511 hydrochloride
CAS Number2070014-90-1
PubChem CID78357796
IUPAC Name8-phenyl-2-piperazin-1-ylchromen-4-one;hydrochloride
Molecular FormulaC19H19ClN2O2
Molecular Weight342.8
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity464
SMILES
C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C19H18N2O2.ClH/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13,20H,9-12H2;1H
InChIKey
QGVSIVYHHKLHPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY303511 hydrochloride
CAS: 2070014-90-1
CID: 78357796
Formula: C19H19ClN2O2
MW: 342.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass342.1135055
Monoisotopic Mass342.1135055
Topological Polar Surface Area41.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity464
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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