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- ChemComp-TZ6: 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza... -

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Basic information

EntryDatabase: PDB chemical components / ID: TZ6
NameName: 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

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Chemical information

Composition
Formula: C17H18F2N2O4Ru2 / Number of atoms: 45 / Formula weight: 554.473 / Formal charge: 0
Others

8bpj

Type: non-polymer / PDB classification: HETAIN / Three letter code: TZ6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BPJ
History
Create componentJan 18, 2023
Initial releaseJun 28, 2023
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 3.385CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5
OpenEye OEToolkits 2.0.7CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F

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SMILES CANONICAL

CACTVS 3.385CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5
OpenEye OEToolkits 2.0.7CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F

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InChI

InChI 1.06InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;;/h1-8H,9H2;2*2H,1H3;;/q3*-2;2*+3

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InChIKey

InChI 1.06NOQXZAUOMFZMHS-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8bpj:
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 1)

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