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    Firibastat

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    2D Structure
    Also known as: Qgc-001, 648927-86-0, Rb-150, Qgc001, Rb150, 638ky4573i
    Molecular Formula
    C8H20N2O6S4
    Molecular Weight
    368.5  g/mol
    InChI Key
    HJPXZXVKLGEMGP-YUMQZZPRSA-N
    FDA UNII
    638KY4573I
    QGC001 has been used in trials studying the treatment of Essential Hypertension.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-amino-4-[[(2S)-2-amino-4-sulfobutyl]disulfanyl]butane-1-sulfonic acid
    2.1.2 InChI
    InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1
    2.1.3 InChI Key
    HJPXZXVKLGEMGP-YUMQZZPRSA-N
    2.1.4 Canonical SMILES
    C(CS(=O)(=O)O)C(CSSCC(CCS(=O)(=O)O)N)N
    2.1.5 Isomeric SMILES
    C(CS(=O)(=O)O)[C@@H](CSSC[C@H](CCS(=O)(=O)O)N)N
    2.2 Other Identifiers
    2.2.1 UNII
    638KY4573I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4,4'-dithio(bis(3-aminobutyl Sulfonic Acid))

    2. Rb 150

    3. Rb-150

    4. Rb150

    5. Rb150 Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. Qgc-001

    2. 648927-86-0

    3. Rb-150

    4. Qgc001

    5. Rb150

    6. 638ky4573i

    7. 1-butanesulfonic Acid, 4,4'-dithiobis(3-amino-, (3s,3's)-

    8. (s)-3-amino-4-(((s)-2-amino-4-sulfobutyl)disulfaneyl)butane-1-sulfonic Acid

    9. Unii-638ky4573i

    10. Qgc 001

    11. Firibastat [inn]

    12. Firibastat [who-dd]

    13. Schembl1694944

    14. Chembl4297511

    15. (3s,3's)-4,4'-dithiobis(3-aminobutane-1-sulfonic Acid)

    16. Glxc-25368

    17. Db13107

    18. Hy-109058

    19. Cs-0032985

    20. 4,4'-dithio(bis(3-aminobutyl Sulfonic Acid))

    21. Q27263587

    22. (3s,3's)-4,4'-disulfanediylbis(3-aminobutane-1-sulfonicacid)

    23. (3s,3s')-4,4'-disulfanediylbis(3-aminobutane-1-sulfonic Acid)

    24. (3s)-3-amino-4-[[(2s)-2-amino-4-sulfobutyl]disulfanyl]butane-1-sulfonic Acid

    25. 1601301-49-8

    2.4 Create Date
    2008-07-14
    3 Chemical and Physical Properties
    Molecular Weight 368.5 g/mol
    Molecular Formula C8H20N2O6S4
    XLogP3-6.9
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass368.02042106 g/mol
    Monoisotopic Mass368.02042106 g/mol
    Topological Polar Surface Area228 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity410
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    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.)