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L 644711

CAT: 0931-T24299-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24299-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81997-33-3
Target
IGluR, Others
Related Pathways
Others, Membrane transporter/Ion channel, Neuroscience
Bioactivity
L 644711 is an antagonist of HCO3 (-) /Cl (-) antiporter.
Smiles
C(CC)[C@]12C(C=3C(C1)=CC(OCC(O)=O)=C(Cl)C3Cl)=CC(=O)CC2
Molecular Formula
C18H18Cl2O4
Molecular Weight
369.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L 644711

RN given refers to (R)-isomer; structure given in first source; HCO3(-)/Cl(-) antiporter antagonist

CAS Number81997-33-3
PubChem CID3035014
IUPAC Name2-[[(8aR)-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
Molecular FormulaC18H18Cl2O4
Molecular Weight369.2
XLogP4.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity561
SMILES
CCC[C@]12CCC(=O)C=C1C3=C(C(=C(C=C3C2)OCC(=O)O)Cl)Cl
InChI
InChI=1S/C18H18Cl2O4/c1-2-4-18-5-3-11(21)7-12(18)15-10(8-18)6-13(16(19)17(15)20)24-9-14(22)23/h6-7H,2-5,8-9H2,1H3,(H,22,23)/t18-/m1/s1
InChIKey
ALFVAHDVPGFPIK-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of L 644711
CAS: 81997-33-3
CID: 3035014
Formula: C18H18Cl2O4
MW: 369.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.2
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass368.0582144
Monoisotopic Mass368.0582144
Topological Polar Surface Area63.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5774049L 644711

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