tigecycline (Q420595)

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chemical compound
  • WAY-GAR-936
  • (4S,4AS,5ar,12as)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
  • Tigeciclina
  • Tigecycline
  • Tigecyclinum
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Language Label Description Also known as
default for all languages
No label defined
    English
    tigecycline
    chemical compound
    • WAY-GAR-936
    • (4S,4AS,5ar,12as)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
    • Tigeciclina
    • Tigecycline
    • Tigecyclinum

    Statements

    mass
    585.2799 dalton
    1 reference
    stated in
    ChEMBL
    ChEMBL ID
    CHEMBL376140
    language of work or name
    English
    title
    TIGECYCLINE (English)
    retrieved
    3 October 2016
    chemical formula
    C₂₉H₃₉N₅O₈
    1 reference
    stated in
    DrugBank
    DrugBank ID
    DB00560
    language of work or name
    English
    title
    Tigecycline (English)
    publication date
    17 November 2015
    canonical SMILES
    CC(C)(C)NCC(=O)NC1=CC(=C2C(=C1O)C(=O)C3=C(C4(C(CC3C2)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C
    1 reference
    stated in
    Global Substance Registration System
    UNII
    70JE2N95KR
    language of work or name
    English
    title
    tigecycline (English)
    retrieved
    19 November 2016
    isomeric SMILES
    CC(C)(C)NCC(=O)NC1=CC(=C2C(=C1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C
    1 reference
    stated in
    Global Substance Registration System
    UNII
    70JE2N95KR
    language of work or name
    English
    title
    tigecycline (English)
    retrieved
    19 November 2016
    Commons category
    Tigecycline
    0 references

    Identifiers

    Reaxys registry number
    8379453
    1 reference
    stated in
    ChEBI
    ChEBI ID
    149836
    language of work or name
    English
    title
    tigecycline (English)
    retrieved
    3 October 2016
    HSDB ID
    8172
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    8172
    publication date
    28 October 2019
    title
    Tigecycline (English)
    retrieved
    10 May 2021
    LiverTox ID
    Tigecycline
    0 references
    EC number
    685-736-6
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.211.439
    retrieved
    27 December 2018
    title
    4S,4aS,5aR,12aS)-9- [2-(tert-butylamino)acetamido] -4,7-bis (dimethylamino) -1,4,4a,5,5a,6,11, 12a-octahydro-3,10,12, 2a-tetrahydroxy-1, 11-dioxo-2-naphthacenecarboxamide (hydrochloride) (English)
    quotation
    CAS no.: 220620-09-7 (English)
    ECHA Substance Infocard ID
    100.211.439
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.211.439
    retrieved
    27 December 2018
    title
    4S,4aS,5aR,12aS)-9- [2-(tert-butylamino)acetamido] -4,7-bis (dimethylamino) -1,4,4a,5,5a,6,11, 12a-octahydro-3,10,12, 2a-tetrahydroxy-1, 11-dioxo-2-naphthacenecarboxamide (hydrochloride) (English)
    quotation
    CAS no.: 220620-09-7 (English)
    KEGG ID
    D01079
    1 reference
    stated in
    ChEBI
    ChEBI ID
    149836
    language of work or name
    English
    title
    tigecycline (English)
    retrieved
    3 October 2016
    CAB ID
    278306
    1 reference
    stated in
    CAB Thesaurus
    retrieved
    6 April 2020
    DeCS ID
    57796
    0 references
    NALT ID
    235836
    0 references
     
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