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    Ta 3090

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Clentiazem maleate [usan], Ta-3090, 96128-92-6, Yn4f0n5qe0, (+)-(2s,3s)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one acetate (ester), maleate (1:1), 1,5-benzothiazepin-4(5h)-one, 3-(acetyloxy)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2s-cis)-, (z)-2-butenedioate (1:1)
    Molecular Formula
    C26H29ClN2O8S
    Molecular Weight
    565.0  g/mol
    InChI Key
    FTUXVMVEKYLKGE-WECFPGDBSA-N
    FDA UNII
    YN4F0N5QE0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;[(2S,3S)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
    2.1.2 InChI
    InChI=1S/C22H25ClN2O4S.C4H4O4/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3;5-3(6)1-2-4(7)8/h5-10,13,20-21H,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t20-,21+;/m1./s1
    2.1.3 InChI Key
    FTUXVMVEKYLKGE-WECFPGDBSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    YN4F0N5QE0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-acetoxy-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-(5h)-one Maleate

    2. 8-chlorodiltiazem

    3. Clentiazem

    4. Ta 3090

    5. Ta-3090

    2.3.2 Depositor-Supplied Synonyms

    1. Clentiazem Maleate [usan]

    2. Ta-3090

    3. 96128-92-6

    4. Yn4f0n5qe0

    5. (+)-(2s,3s)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one Acetate (ester), Maleate (1:1)

    6. 1,5-benzothiazepin-4(5h)-one, 3-(acetyloxy)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2s-cis)-, (z)-2-butenedioate (1:1)

    7. (s,s)-clentiazem Maleate

    8. (z)-but-2-enedioic Acid;[(2s,3s)-8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] Acetate

    9. Unii-yn4f0n5qe0

    10. Ta 3090

    11. Logna

    12. Schembl387182

    13. Clentiazem Maleate [mi]

    14. Chembl3989612

    15. Clentiazem Maleate (jan/usan)

    16. Clentiazem Maleate [jan]

    17. Clentiazem Maleate [who-dd]

    18. 1,5-benzothiazepin-4(5h)-one, 2,3-dihydro-3-(acetyloxy)-8-chloro-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-, (2s-cis)-, (z)-2-butenedioate (1:1)

    19. 1,5-benzothiazepin-4(5h)-one, 3-(acetyloxy)-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2s,3s)-, (2z)-2-butenedioate (1:1)

    20. D03536

    21. Q27294596

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 565.0 g/mol
    Molecular Formula C26H29ClN2O8S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass564.1333148 g/mol
    Monoisotopic Mass564.1333148 g/mol
    Topological Polar Surface Area159 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity719
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Platelet Aggregation Inhibitors

    Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

    Antihypertensive Agents

    Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)

    Calcium Channel Blockers

    A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)