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    Zofenopril Calcium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 896Xls

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    2D Structure
    Also known as: 81938-43-4, Zofenopril calcium salt, Zoprace, Zofenopril calcium [usan], Sq 26991, Chebi:82600
    Molecular Formula
    C44H44CaN2O8S4
    Molecular Weight
    897.2  g/mol
    InChI Key
    NSYUKKYYVFVMST-LETVYOFWSA-L
    FDA UNII
    88ZQ329PU2
    Zofenopril Calcium is the calcium salt of zofenopril, a sulfhydryl angiotensin-converting enzyme (ACE) inhibitor with antihypertensive activity. As a prodrug, zofenopril is hydrolyzed in vivo into its active form zofenoprilat. Zofenoprilat competitively binds to and inhibits ACE, thereby blocking the conversion of angiotensin I to angiotensin II. This prevents the potent vasoconstrictive actions of angiotensin II and results in vasodilation. Zofenoprilat also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex, which leads to an increase in sodium excretion and subsequently increases water outflow.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate
    2.1.2 InChI
    InChI=1S/2C22H23NO4S2.Ca/c2*1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17;/h2*2-11,15,18-19H,12-14H2,1H3,(H,25,26);/q;;+2/p-2/t2*15-,18+,19+;/m11./s1
    2.1.3 InChI Key
    NSYUKKYYVFVMST-LETVYOFWSA-L
    2.1.4 Canonical SMILES
    CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3.CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)[O-])SC3=CC=CC=C3.[Ca+2]
    2.1.5 Isomeric SMILES
    C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)[O-])SC3=CC=CC=C3.C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)[O-])SC3=CC=CC=C3.[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    88ZQ329PU2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sq 26900

    2. Sq 26991

    3. Sq-26900

    4. Sq-26991

    5. Zofenil

    6. Zofenopril

    7. Zofenopril, Calcium Salt, (1(r*),2alpha,4alpha)-isomer

    8. Zofil

    2.3.2 Depositor-Supplied Synonyms

    1. 81938-43-4

    2. Zofenopril Calcium Salt

    3. Zoprace

    4. Zofenopril Calcium [usan]

    5. Sq 26991

    6. Chebi:82600

    7. 81938-43-4 (calcium)

    8. 88zq329pu2

    9. Zofenoprilcalcium

    10. Sq-26991

    11. Zofenopril Calcium (usan)

    12. Calcium (2s,4s)-1-((s)-3-(benzoylthio)-2-methylpropanoyl)-4-(phenylthio)pyrrolidine-2-carboxylate

    13. Unii-88zq329pu2

    14. Bifril-d5

    15. Zoprace (tn)

    16. Ncgc00182038-01

    17. Dsstox_cid_28551

    18. Dsstox_rid_82823

    19. Dsstox_gsid_48625

    20. Schembl641349

    21. Chembl2105776

    22. Dtxsid1048625

    23. Zofenopril Calcium [mart.]

    24. Zofenopril Calcium [who-dd]

    25. Tox21_112966

    26. Mfcd08704648

    27. Zofenopril Calcium Salt [mi]

    28. Akos015840019

    29. Akos015967030

    30. Ac-4336

    31. (4s)-n-((s)-3-mercapto-2-methylpropionyl)-4-(phenylthio)-l-proline Benzoate (ester), Calcium Salt

    32. As-81847

    33. So 26991

    34. Cas-81938-43-4

    35. Zofenopril Calcium, >98% (hplc), Powder

    36. Z0041

    37. D03767

    38. A840224

    39. Q-101025

    40. Q27156118

    41. (4s)-n-((s)-3-mercapto-2-methylpropionyl)-4-(phenylthio)-r-proline Benzoate (ester), Calcium Salt

    42. [1(s),4(s)]-1-(3-mercapto-2-methyl-1-oxopropyl)-4-phenyl-thio-l-proline-s-benzoyl Ester Calcium Salt

    43. Bis[1-[(s)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4alpha-(phenylthio)-l-proline] Calcium Salt

    44. Calcium (2r,4r)-1-[(2s)-3-benzoylsulfanyl-2-methyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylate

    45. Calcium Bis[(2s,4s)-1-[(2s)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate]

    46. Calcium;(2s,4s)-1-[(2s)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylate

    47. L-proline, 1-(3-(benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-, Calcium Salt, (1(r*),2alpha,4alpha)-

    48. R-proline, 1-(3-(benzoylthio)-2-methyl-1-oxopropyl)-4-(phenylthio)-, Calcium Salt, (1(r*),2.alpha.,4.alpha.)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 897.2 g/mol
    Molecular Formula C44H44CaN2O8S4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count14
    Exact Mass896.1606419 g/mol
    Monoisotopic Mass896.1606419 g/mol
    Topological Polar Surface Area256 Ų
    Heavy Atom Count59
    Formal Charge0
    Complexity582
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Angiotensin-Converting Enzyme Inhibitors

    A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility. (See all compounds classified as Angiotensin-Converting Enzyme 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.)