atorvastatin calcium trihydrate (Q27105879)

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chemical compound
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Language Label Description Also known as
English
atorvastatin calcium trihydrate
chemical compound

    Statements

    subclass of
    hydrate
    0 references
    mass
    1,208.485±0 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    656846
    language of work or name
    English
    title
    Torvast (English)
    retrieved
    5 October 2016
    chemical formula
    C₆₆H₇₄CaF₂N₄O₁₃
    1 reference
    stated in
    PubChem
    PubChem CID
    656846
    language of work or name
    English
    title
    Torvast (English)
    retrieved
    19 November 2016
    canonical SMILES
    CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]
    1 reference
    stated in
    PubChem
    PubChem CID
    656846
    language of work or name
    English
    title
    Torvast (English)
    retrieved
    19 November 2016
    isomeric SMILES
    CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]
    1 reference
    stated in
    PubChem
    PubChem CID
    656846
    language of work or name
    English
    title
    Torvast (English)
    retrieved
    19 November 2016

    Identifiers

    ChemSpider ID
    571124
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    571124
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    19 November 2016
    Reaxys registry number
    14390286
    1 reference
    stated in
    ChEBI
    ChEBI ID
    2911
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    5 October 2016
    ChEBI ID
    2911
    mapping relation type
    exact match
    1 reference
    stated in
    ChEBI
    ChEBI ID
    2911
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    5 October 2016
    EC number
    686-242-3
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.211.971
    retrieved
    27 December 2018
    title
    ATORVASTATINE CALCIUM (English)
    quotation
    CAS no.: 344423-98-9 (English)
    ECHA Substance Infocard ID
    100.211.971
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.211.971
    retrieved
    27 December 2018
    title
    ATORVASTATINE CALCIUM (English)
    quotation
    CAS no.: 344423-98-9 (English)
    RxNorm ID
    1297766
    1 reference
    stated in
    Global Substance Registration System
    UNII
    48A5M73Z4Q
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    19 November 2016
    DrugBank ID
    SALT001499
    0 references
    UNII
    48A5M73Z4Q
    1 reference
    stated in
    Global Substance Registration System
    UNII
    48A5M73Z4Q
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    19 November 2016
    KEGG ID
    D00887
    1 reference
    stated in
    ChEBI
    ChEBI ID
    2911
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    5 October 2016
    D02258
    1 reference
    stated in
    ChEBI
    ChEBI ID
    2911
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    5 October 2016
    UMLS CUI
    C0286650
    1 reference
    stated in
    Global Substance Registration System
    UNII
    48A5M73Z4Q
    language of work or name
    English
    title
    atorvastatin calcium trihydrate (English)
    retrieved
    19 November 2016
     
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