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- ChemComp-5RM: (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 5RM
NameName: (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
Synonyms: (R)-MESOPRAM

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Chemical information

Composition
Formula: C14H19NO4 / Number of atoms: 38 / Formula weight: 265.305 / Formal charge: 0
Others

1xm6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5RM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1XM6
History
Create componentNov 17, 2004
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.352CCCOc1cc(ccc1OC)[C]2(C)CNC(=O)O2
OpenEye OEToolkits 1.6.1CCCOc1cc(ccc1OC)C2(CNC(=O)O2)C

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SMILES CANONICAL

CACTVS 3.352CCCOc1cc(ccc1OC)[C@]2(C)CNC(=O)O2
OpenEye OEToolkits 1.6.1CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C

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InChI

InChI 1.03InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1

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InChIKey

InChI 1.03PCCPERGCFKIYIS-AWEZNQCLSA-N

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PDB entries

Showing all 1 items

PDB-1xm6:
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram

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