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    Satavaptan Phosphate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Sr 121463b, Sr-121463b, Ey1272i0w2, 308145-17-7, Benzamide, n-(1,1-dimethylethyl)-4-((cis-5'-ethoxy-4-(2-(4-morpholinyl)ethoxy)-2'-oxospiro(cyclohexane-1,3'-(3h)indol)-1'(2'h)-yl)sulfonyl)-3-methoxy-, phosphate (1:1), Sr121463b
    Molecular Formula
    C33H48N3O12PS
    Molecular Weight
    741.8  g/mol
    InChI Key
    VFUAOLYIYUOYQQ-UHFFFAOYSA-N
    FDA UNII
    EY1272I0W2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide;phosphoric acid
    2.1.2 InChI
    InChI=1S/C33H45N3O8S.H3O4P/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4;1-5(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37);(H3,1,2,3,4)
    2.1.3 InChI Key
    VFUAOLYIYUOYQQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC.OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    EY1272I0W2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(4-(n-tert-butylcarbamoyl)-2-methoxybenzenesulfonyl)-5-ethoxy-3-spiro(4-(2-morpholinoethoxy)cyclohexane)indoline-2-one, Phosphate Monohydrate Cis-isomer

    2. 1-(4-(n-tert-butylcarbamoyl)-2-methoxybenzenesulfonyl)-5-ethoxy-3-spiro-(4-(2-morpholinoethoxy)cyclohexane)indol-2-one Fumarate

    3. Satavaptan

    4. Sr 121463a

    5. Sr-121463

    6. Sr-121463b

    7. Sr121463b

    2.3.2 Depositor-Supplied Synonyms

    1. Sr 121463b

    2. Sr-121463b

    3. Ey1272i0w2

    4. 308145-17-7

    5. Benzamide, N-(1,1-dimethylethyl)-4-((cis-5'-ethoxy-4-(2-(4-morpholinyl)ethoxy)-2'-oxospiro(cyclohexane-1,3'-(3h)indol)-1'(2'h)-yl)sulfonyl)-3-methoxy-, Phosphate (1:1)

    6. Sr121463b

    7. Unii-ey1272i0w2

    8. Satavaptan Phosphate [who-dd]

    9. Q27277421

    2.4 Create Date
    2012-03-21
    3 Chemical and Physical Properties
    Molecular Weight 741.8 g/mol
    Molecular Formula C33H48N3O12PS
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count11
    Exact Mass741.26963215 g/mol
    Monoisotopic Mass741.26963215 g/mol
    Topological Polar Surface Area210 Ų
    Heavy Atom Count50
    Formal Charge0
    Complexity1170
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Antidiuretic Hormone Receptor Antagonists

    Endogenous compounds and drugs that inhibit or block the activity of ANTIDUIRETIC HORMONE RECEPTORS. (See all compounds classified as Antidiuretic Hormone Receptor Antagonists.)