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    Temocapril Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Temocapril hcl, 110221-44-8, Acecol, Cs-622, Temocapril (hydrochloride), 8g820i95vp
    Molecular Formula
    C23H29ClN2O5S2
    Molecular Weight
    513.1  g/mol
    InChI Key
    XDDQNOKKZKHBIX-ASBZXGSUSA-N
    FDA UNII
    8G820I95VP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1
    2.1.3 InChI Key
    XDDQNOKKZKHBIX-ASBZXGSUSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    8G820I95VP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alpha-((2s,6r)-6-((1s)-1-ethoxycarbonyl-3-phenylpropyl)amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl)acetic Acid.hcl

    2. Cs 622

    3. Cs-622

    4. Cs622

    5. Temocapril

    2.3.2 Depositor-Supplied Synonyms

    1. Temocapril Hcl

    2. 110221-44-8

    3. Acecol

    4. Cs-622

    5. Temocapril (hydrochloride)

    6. 8g820i95vp

    7. Ncgc00181345-01

    8. Dsstox_cid_26914

    9. Dsstox_rid_82012

    10. Dsstox_gsid_46914

    11. 2-((2s,6r)-6-(((s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic Acid Hydrochloride

    12. 2-[(2s,6r)-6-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic Acid;hydrochloride

    13. Acecol (tn)

    14. Cas-110221-44-8

    15. Cs 622

    16. Unii-8g820i95vp

    17. Temocapril Hydrochloride [usan:jan]

    18. Cs-622 Hcl

    19. Schembl121391

    20. Chembl2104499

    21. Dtxsid7046914

    22. Chebi:32190

    23. Act08758

    24. Ex-a4436

    25. Hy-b0384

    26. Tox21_112803

    27. Ac-757

    28. S2099

    29. Temocapril Hydrochloride [mi]

    30. Temocapril Hydrochloride [jan]

    31. Akos015895256

    32. Tox21_112803_1

    33. Ccg-269794

    34. Rs-5142

    35. Temocapril Hydrochloride (jp17/usan)

    36. Temocapril Hydrochloride [usan]

    37. Temocapril Hydrochloride [mart.]

    38. Ncgc00263583-01

    39. Temocapril Hydrochloride [who-dd]

    40. (+)-(2s,6r)-6-(((1s)-1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5h)-acetic Acid, 6-ethyl Ester, Monohydrochloride

    41. Sw219451-1

    42. C71352

    43. D01119

    44. 221t448

    45. A802171

    46. Q-102513

    47. Q27270390

    48. 1,4-thiazepine-4(5h)-acetic Acid, 6-(((1s)-1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, Hydrochloride (1:1), (2s,6r)-

    49. 1,4-thiazepine-4-(5h)-acetic Acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, Monohydrochloride, (2s-(2alpha,6beta(r*)))-

    50. 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic Acid Hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 513.1 g/mol
    Molecular Formula C23H29ClN2O5S2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count11
    Exact Mass512.1206421 g/mol
    Monoisotopic Mass512.1206421 g/mol
    Topological Polar Surface Area150 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity644
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    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

    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.)