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- ChemComp-OJ0: Levobupivacaine -

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Basic information

EntryDatabase: PDB chemical components / ID: OJ0
NameName: Levobupivacaine
Synonyms: (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide

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Chemical information

Composition
Formula: C18H28N2O / Number of atoms: 49 / Formula weight: 288.428 / Formal charge: 0
Others

8i5b

Type: non-polymer / PDB classification: HETAIN / Three letter code: OJ0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8I5B
History
Create componentFeb 4, 2023
Initial releaseJun 14, 2023
Modify nameNov 1, 2023
Modify synonymsNov 1, 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 3.385CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C
OpenEye OEToolkits 2.0.7CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C

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SMILES CANONICAL

CACTVS 3.385CCCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C
OpenEye OEToolkits 2.0.7CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C

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InChI

InChI 1.06InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1

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InChIKey

InChI 1.06LEBVLXFERQHONN-INIZCTEOSA-N

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PDB entries

Showing all 1 items

PDB-8i5b:
Structure of human Nav1.7 in complex with bupivacaine

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