L 644711
Basic information
- CAS
81997-33-3- Standard SMILES
CCC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2- InChIKey
ALFVAHDVPGFPIK-GOSISDBHSA-N- Molecular formula
- C18H18Cl2O4
- Average molar mass
- 369.2 g/mol
- Monoisotopic mass
- 368.0582144
Overview
RN given refers to (R)-isomer; structure given in first source; HCO3(-)/Cl(-) antiporter antagonist
Names & identifiers
- Preferred name
- L 644711
- IUPAC
- 2-[[(8aR)-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid
- English name
- L 644711
- Molecular formula
- C18H18Cl2O4
- Molecular weight
- 369.23912
Names & synonyms
DPOFA81997-33-3L 644711SC0Y88002KL-644711L-644,711DTXSID10231500((5,6-Dichloro-9a-n-propyl-2,3,9,9a-tetrahydro-3-oxo-1H-fluren-7-yl)oxy)acetic acidAcetic acid, ((5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren-7-yl)oxy)-, (R)-Acetic acid, (((9aR)-5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren-7-yl)oxy)-RefChem:151642DTXCID70153991
Show more names
HLEC-B3HLE-B3 Cells Line
2-[[(8aR)-3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl]oxy]acetic acid((5,6-Dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren-7-yl)oxy)acetic acidUNII-SC0Y88002KB-3(+)orb1703242SCHEMBL1888816AKOS040745980(R)-2-((5,6-dichloro-3-oxo-9a-propyl-2,3,9,9a-tetrahydro-1H-fluoren-7-yl)oxy)acetic acid
Database identifiers
- CAS
81997-33-3- PubChem CID
- 3035014
- DTXSID
DTXSID10231500- UNII
- SC0Y88002K
- Nikkaji
- J138.353A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- FDA UNII
- 0 Y88002K · SC0Y88002K
Chemistry & industry
Applications
UsesL644711 is an anion transport inhibitor that reduces cell swelling by inhibiting potassium-activated D-aspartate release in astrocytes. L644711 can be used in the study of brain injury and neuroprotection[1].
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Compound notes
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