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    Altanserin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 79449-96-0, Altanserin tartrate [usan], 9p204che8j, 4(1h)-quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-, (r-(r*,r*))-2,3-dihydroxybutanedioate, Altanserin tartrate (usan), 3-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2-thio-2,4(1h,3h)-quinazolinedione l-(+)-tartrate (1:1)
    Molecular Formula
    C26H28FN3O8S
    Molecular Weight
    561.6  g/mol
    InChI Key
    VZGOQPXIRAHJLV-LREBCSMRSA-N
    FDA UNII
    9P204CHE8J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C22H22FN3O2S.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
    2.1.3 InChI Key
    VZGOQPXIRAHJLV-LREBCSMRSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9P204CHE8J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Altanserin

    2.3.2 Depositor-Supplied Synonyms

    1. 79449-96-0

    2. Altanserin Tartrate [usan]

    3. 9p204che8j

    4. 4(1h)-quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-, (r-(r*,r*))-2,3-dihydroxybutanedioate

    5. Altanserin Tartrate (usan)

    6. 3-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2-thio-2,4(1h,3h)-quinazolinedione L-(+)-tartrate (1:1)

    7. R-53,200

    8. Unii-9p204che8j

    9. R-53200

    10. Einecs 279-159-5

    11. Schembl124036

    12. Dtxsid20229675

    13. D02836

    14. Q27272848

    15. (2r,3r)-2,3-dihydroxybutanedioic Acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1h-quinazolin-4-one

    16. 3-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-2-thioxoquinazolin-4(1h)-one (r-(r*,r*))-tartrate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 561.6 g/mol
    Molecular Formula C26H28FN3O8S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count8
    Exact Mass561.15811420 g/mol
    Monoisotopic Mass561.15811420 g/mol
    Topological Polar Surface Area200 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity763
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Contrast Media

    Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

    Serotonin Antagonists

    Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)