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    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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    Chemistry

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    Also known as: Treprostinil diethanolamine, 830354-48-8, Ut-15c, Treprostinil diolamin, Treprostinil diolamine [usan], Treprostinil (diethanolamine)
    Molecular Formula
    C27H45NO7
    Molecular Weight
    495.6  g/mol
    InChI Key
    RHWRWEUCEXUUAV-ZSESPEEFSA-N
    FDA UNII
    H1FKG90039
    Treprostinil Diolamine
    1 2D Structure

    Treprostinil Diolamine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid;2-(2-hydroxyethylamino)ethanol
    2.1.2 InChI
    InChI=1S/C23H34O5.C4H11NO2/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;6-3-1-5-2-4-7/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);5-7H,1-4H2/t16-,17-,18+,19-,21+;/m0./s1
    2.1.3 InChI Key
    RHWRWEUCEXUUAV-ZSESPEEFSA-N
    2.1.4 Canonical SMILES
    CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O.C(CO)NCCO
    2.1.5 Isomeric SMILES
    CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O.C(CO)NCCO
    2.2 Other Identifiers
    2.2.1 UNII
    H1FKG90039
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. ((1r,2r,3as,9as)-2-hydroxy-1-((3s)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1h-cylopent(b)naphthalen-5-yl)oxy)acetate

    2. Orenitram

    3. Remodulin

    4. Trepostinil Sodium

    5. Treprostinil

    6. Treprostinil Diethanolamine

    7. Treprostinil Diolamin

    8. Treprostinil Sodium

    9. Ut-15

    10. Ut-15c

    2.3.2 Depositor-Supplied Synonyms

    1. Treprostinil Diethanolamine

    2. 830354-48-8

    3. Ut-15c

    4. Treprostinil Diolamin

    5. Treprostinil Diolamine [usan]

    6. Treprostinil (diethanolamine)

    7. H1fkg90039

    8. 2-((1r,2r,3as,9as)-2-hydroxy-1-(3(s)-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta(b)naphthalen-5-yloxy)acetic Acid Diethanolamine Salt

    9. Acetic Acid, 2-(((1r,2r,3as,9as)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((3s)-3-hydroxyoctyl)-1h-benz(f)inden-5-yl)oxy)-, Compd. With 2,2'-iminobis(ethanol) (1:1)

    10. Treprostinil Diolamine (usan)

    11. 2-[[(1r,2r,3as,9as)-2-hydroxy-1-[(3s)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-5-yl]oxy]acetic Acid;2-(2-hydroxyethylamino)ethanol

    12. Unii-h1fkg90039

    13. Orenitram (tn)

    14. Chembl2107815

    15. Schembl17222566

    16. Dtxsid50232132

    17. Ex-a1418

    18. Hy-b0813

    19. Treprostinil Diolamin [who-dd]

    20. Treprostinil Diolamine [orange Book]

    21. Cs-0012733

    22. D10430

    23. Q27279501

    24. 2-(((1r,2r,3as,9as)-2-hydroxy-1-((s)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[b]naphthalen-5-yl)oxy)acetic Acid Diethanolamine Salt

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 495.6 g/mol
    Molecular Formula C27H45NO7
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count14
    Exact Mass495.31960277 g/mol
    Monoisotopic Mass495.31960277 g/mol
    Topological Polar Surface Area140 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity524
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of pulmonary hypertension

    5 Pharmacology and Biochemistry
    5.1 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.)

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    30-Sep-2021
    01-Nov-2021
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