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bedaquiline (Q1257318)

From Wikidata
chemical compound used to treat tuberculosis
  • TMC207
  • 1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol
  • TMC-207
  • Bedaquilinum
  • Bedaquilina
  • R 207910
  • TMC 207
  • R207910
  • Bedaquiline
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Language Label Description Also known as
default for all languages
No label defined
    English
    bedaquiline
    chemical compound used to treat tuberculosis
    • TMC207
    • 1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-dimethylamino-2-naphthalen-1-yl-1-phenyl-butan-2-ol
    • TMC-207
    • Bedaquilinum
    • Bedaquilina
    • R 207910
    • TMC 207
    • R207910
    • Bedaquiline

    Statements

    chemical structure
    Bedaquiline.svg
    512 × 509; 7 KB
    0 references
    chemical formula
    C₃₂H₃₁BrN₂O₂
    1 reference
    stated in
    PubChem
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    canonical SMILES
    CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
    1 reference
    stated in
    PubChem
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    isomeric SMILES
    CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
    1 reference
    stated in
    PubChem
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    mass
    554.157 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    Commons category
    Bedaquiline
    0 references

    Identifiers

    Reaxys registry number
    10733008
    1 reference
    stated in
    ChEBI
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    HSDB ID
    8217
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    8217
    publication date
    28 October 2019
    title
    Bedaquiline (English)
    retrieved
    10 May 2021
    LiverTox ID
    Bedaquiline
    0 references
    KEGG ID
    C14122
    1 reference
    stated in
    ChEBI
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    D09872
    1 reference
    stated in
    ChEBI
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    PDB ligand ID
    BQ1
    0 references
     
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