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    Arotinolol Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 68377-91-3, Arotinolol hcl, Arotinolol hydrochloride [jan], Arotinolol (hydrochloride), 9doi1ht306, 2-thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-, monohydrochloride, (+-)-
    Molecular Formula
    C15H22ClN3O2S3
    Molecular Weight
    408.0  g/mol
    InChI Key
    XXDAXBZYUXLDRD-UHFFFAOYSA-N
    FDA UNII
    9DOI1HT306
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H
    2.1.3 InChI Key
    XXDAXBZYUXLDRD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9DOI1HT306
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(3'-tert-butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole Hydrochloride

    2. Arotinolol

    3. Arotinolol, (+-)-isomer

    4. S 596

    5. S-596

    2.3.2 Depositor-Supplied Synonyms

    1. 68377-91-3

    2. Arotinolol Hcl

    3. Arotinolol Hydrochloride [jan]

    4. Arotinolol (hydrochloride)

    5. 9doi1ht306

    6. 2-thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-, Monohydrochloride, (+-)-

    7. 68377-91-3 (hcl)

    8. 5-[2-[[3-(tert-butylamino)-2-hydroxypropyl]thio]thiazol-4-yl]thiophene-2-carboxamide Hydrochloride

    9. 5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride

    10. S 596

    11. Unii-9doi1ht306

    12. Almarl (tn)

    13. Arotinololhydrochloride

    14. Ncgc00181107-01

    15. S-596

    16. (+-)-2-(3'-tert-butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole Hcl

    17. Dsstox_cid_26849

    18. Dsstox_rid_81958

    19. Dsstox_gsid_46849

    20. Schembl348620

    21. Arotinolol Hydrochloride,(s)-

    22. Chembl3185966

    23. Dtxsid1046849

    24. Arotinolol Hydrochloride (jp17)

    25. Chebi:31239

    26. Bcp06721

    27. Bcp28628

    28. Tox21_112721

    29. Arotinolol Hydrochloride [mi]

    30. Mfcd00941421

    31. Arotinolol Hydrochloride [mart.]

    32. Arotinolol Hydrochloride [who-dd]

    33. As-76884

    34. Arotinolol Hcl;(s)-arotinolol Hydrochloride

    35. Cas-68377-91-3

    36. Db-055145

    37. Ft-0602864

    38. D01830

    39. F20661

    40. 377a913

    41. Q27272409

    42. (+/-)-2-(3'-tert-butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole Hcl

    43. 2-thiophenecarboxamide, 5-(2-((3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)thio)-4-thiazolyl)-, Monohydrochloride, (+/-)-

    44. 5-(2-(3-(tert-butylamino)-2-hydroxypropylthio)thiazol-4-yl)thiophene-2-carboxamide Hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 408.0 g/mol
    Molecular Formula C15H22ClN3O2S3
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass407.0562682 g/mol
    Monoisotopic Mass407.0562682 g/mol
    Topological Polar Surface Area170 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity406
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic beta-Antagonists

    Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety. (See all compounds classified as Adrenergic beta-Antagonists.)

    Adrenergic alpha-Antagonists

    Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)