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atorvastatin (Q668093)

From Wikidata
chemical compound
  • (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
  • LCF872
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Language Label Description Also known as
default for all languages
No label defined
    English
    atorvastatin
    chemical compound
    • (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
    • LCF872

    Statements

    has use
    medication
    0 references
    chemical structure
    Atorvastatin.svg
    512 × 264; 8 KB
    0 references
    mass
    558.253 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    60823
    language of work or name
    English
    title
    atorvastatin (English)
    retrieved
    19 October 2016
    chemical formula
    C₃₃H₃₅FN₂O₅
    0 references
    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
    1 reference
    stated in
    PubChem
    PubChem CID
    60823
    language of work or name
    English
    title
    atorvastatin (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
    1 reference
    stated in
    PubChem
    PubChem CID
    60823
    language of work or name
    English
    title
    atorvastatin (English)
    retrieved
    19 November 2016
    significant drug interaction
    has part(s)
    oxygen
    0 references
    fluorine
    0 references
    carbon
    0 references
    Commons category
    Atorvastatin
    0 references

    Identifiers

    Reaxys registry number
    8373630
    1 reference
    stated in
    ChEBI
    ChEBI ID
    39548
    language of work or name
    English
    title
    atorvastatin (English)
    retrieved
    19 October 2016
    MassBank accession ID
    SM859301
    0 references
    SM859351
    0 references
    MSBNK-Eawag-EA281001
    0 references
    MSBNK-Eawag-EA281002
    0 references
    MSBNK-Eawag-EA281003
    0 references
    MSBNK-Eawag-EA281004
    0 references
    MSBNK-Eawag-EA281005
    0 references
    MSBNK-Eawag-EA281006
    0 references
    MSBNK-Eawag-EA281007
    0 references
    MSBNK-Eawag-EA281008
    0 references
    MSBNK-Eawag-EA281009
    0 references
    MSBNK-Eawag-EA281010
    0 references
    MSBNK-Eawag-EA281011
    0 references
    MSBNK-Eawag-EA281012
    0 references
    MSBNK-Eawag-EA281013
    0 references
    MSBNK-Eawag-EA281014
    0 references
    MSBNK-Eawag-EA281051
    0 references
    MSBNK-Eawag-EA281052
    0 references
    MSBNK-Eawag-EA281053
    0 references
    MSBNK-Eawag-EA281054
    0 references
    MSBNK-Eawag-EA281055
    0 references
    MSBNK-Eawag-EA281056
    0 references
    MSBNK-Eawag-EA281057
    0 references
    MSBNK-Eawag-EA281058
    0 references
    MSBNK-Eawag-EA281059
    0 references
    MSBNK-Eawag-EA281060
    0 references
    MSBNK-Eawag-EA281061
    0 references
    MSBNK-Eawag-EA281062
    0 references
    MSBNK-Eawag-EA281063
    0 references
    MSBNK-Eawag-EA281064
    0 references
    SPLASH
    HSDB ID
    7039
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    7039
    publication date
    28 October 2019
    title
    ATORVASTATIN (English)
    retrieved
    10 May 2021
    LiverTox ID
    Atorvastatin
    0 references
    EC number
    806-698-0
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.125.464
    retrieved
    27 December 2018
    title
    1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-ß,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, [R-(R,R)]- (English)
    quotation
    CAS no.: 134523-00-5 (English)
    ECHA Substance Infocard ID
    100.125.464
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.125.464
    retrieved
    27 December 2018
    title
    1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-ß,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, [R-(R,R)]- (English)
    quotation
    CAS no.: 134523-00-5 (English)
    MeSH descriptor ID
    D000069059
    subject named as
    Atorvastatin
    0 references
    KEGG ID
    D07474
    1 reference
    stated in
    ChEBI
    ChEBI ID
    39548
    language of work or name
    English
    title
    atorvastatin (English)
    retrieved
    19 October 2016
    PDB ligand ID
    117
    0 references
    CAB ID
    49952
    1 reference
    stated in
    CAB Thesaurus
    retrieved
    6 April 2020
    DeCS ID
    55918
    0 references
    UNSPSC Code
    51121818
    0 references
    WordNet 3.1 Synset ID
    02757426-n
    1 reference
    stated in
    GF WordNet
     
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