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    Cetiedil

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Fusten, 14176-10-4, Cetiedil [inn], Cetiedilum [inn-latin], Einecs 238-028-2, Brn 1591408
    Molecular Formula
    C20H31NO2S
    Molecular Weight
    349.5  g/mol
    InChI Key
    MMNICIJVQJJHHF-UHFFFAOYSA-N
    FDA UNII
    621RT200TO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(azepan-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-ylacetate
    2.1.2 InChI
    InChI=1S/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2
    2.1.3 InChI Key
    MMNICIJVQJJHHF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    621RT200TO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(hexahydro-1h-azepin-1-yl)ethyl Alpha-cyclohexyl-3-thiopheneacetate Citrate (1:1)

    2. 3-thiopheneacetic Acid, Alpha-cyclohexyl-, 2-(hexahydro-1h-azepin-1-yl)ethyl Ester, Hydrochloride (1:1)

    3. Cetiedil Citrate

    4. Cetiedil Citrate (1:1)

    5. Cetiedil Hydrochloride

    6. Cetiedil Oxalate

    7. Stratene

    2.3.2 Depositor-Supplied Synonyms

    1. Fusten

    2. 14176-10-4

    3. Cetiedil [inn]

    4. Cetiedilum [inn-latin]

    5. Einecs 238-028-2

    6. Brn 1591408

    7. 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-thiophen-3-ylacetate

    8. Chebi:34619

    9. 621rt200to

    10. Cetiedilum

    11. Unii-621rt200to

    12. 2-(1-azepanyl)ethyl 2-cyclohexyl-2-(3-thienyl)acetat

    13. Cetiedil [mi]

    14. Cetiedil [who-dd]

    15. 2-(hexahydro-1h-azepin-1-yl)ethyl-alpha-cyclohexyl-3-thiopheneacetic Acid

    16. Alpha-cyclohexyl-3-thiopheneacetic Acid, 2-(hexahydro-1h-azepin-1-yl)ethyl Ester

    17. Schembl458084

    18. Chembl419380

    19. Dtxsid70864474

    20. Db13753

    21. 3-thiopheneacetic Acid, .alpha.-cyclohexyl-, 2-(hexahydro-1h-azepin-1-yl)ethyl Ester

    22. 3-thiopheneacetic Acid, Alpha-cyclohexyl-, 2-(hexahydro-1h-azepin-1-yl)ethyl Ester

    23. Nci60_021536

    24. Q5065661

    25. 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-(3-thienyl)acetate

    26. 2-(hexahydro-1h-azepin-1-yl)ethyl .alpha.-cyclohexyl-3-thiopheneacetate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 349.5 g/mol
    Molecular Formula C20H31NO2S
    XLogP35.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass349.20755041 g/mol
    Monoisotopic Mass349.20755041 g/mol
    Topological Polar Surface Area57.8 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity376
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antisickling Agents

    Agents used to prevent or reverse the pathological events leading to sickling of erythrocytes in sickle cell conditions. (See all compounds classified as Antisickling Agents.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

    4.2 ATC Code

    C - Cardiovascular system

    C04 - Peripheral vasodilators

    C04A - Peripheral vasodilators

    C04AX - Other peripheral vasodilators

    C04AX26 - Cetiedil