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    Technical details about 8-Bromo-pet-cyclic gmps, learn more about the structure, uses, toxicity, action, side effects and more

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    8-Bromo-pet-cyclic gmps

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    PharmaCompass

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    2D Structure
    1. Also known as: Rp-8-br-pet-cgmp(s), Rp 8br-pet-cgmps, 172806-21-2, Lp-df003, Df-003, O874z20u79
    Molecular Formula
    C18H15BrN5O6PS
    Molecular Weight
    540.3  g/mol
    InChI Key
    DBYADRPTMRXVDJ-QJYCJHSLSA-N
    FDA UNII
    O874Z20U79
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one
    2.1.2 InChI
    InChI=1S/C18H15BrN5O6PS/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32)/t10-,12-,13-,16-,31?/m1/s1
    2.1.3 InChI Key
    DBYADRPTMRXVDJ-QJYCJHSLSA-N
    2.1.4 Canonical SMILES
    C1C2C(C(C(O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)O
    2.1.5 Isomeric SMILES
    C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)O
    2.2 Other Identifiers
    2.2.1 UNII
    O874Z20U79
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 8-bromo-beta-phenyl-1,n(2)-ethenoguanosine 3',5'-cyclic Monophosphorothioate

    2. 8-bromo-beta-phenyl-1,n(2)-ethenoguanosine 3',5'-cyclic Monophosphorothioate, (r)-isomer

    3. Rp-8-br-pet-cgmp(s)

    2.3.2 Depositor-Supplied Synonyms

    1. Rp-8-br-pet-cgmp(s)

    2. Rp 8br-pet-cgmps

    3. 172806-21-2

    4. Lp-df003

    5. Df-003

    6. O874z20u79

    7. Unii-o874z20u79

    8. 172806-20-1

    9. 8-bromo-beta-phenyl-1,n(2)-ethenoguanosine 3',5'-cyclic Monophosphorothioate

    10. 2-bromo-3,4-dihydro-3-(3,5-o-((r)-mercaptophosphinylidene)-beta-d-ribofuranosyl)-6-phenyl-9h-imidazo(1,2-a)purin-9-one

    11. 9h-imidazo(1,2-a)purin-9-one, 2-bromo-3,4-dihydro-3-(3,5-o-((r)-mercaptophosphinylidene)-beta-d-ribofuranosyl)-6-phenyl-

    12. (rp)-8-br-pet-cgmps

    13. 3-[(4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5h-imidazo[1,2-a]purin-9-one

    14. Chembl1606347

    15. Schembl18074118

    16. Dtxsid00938213

    17. 2-bromo-3,4-dihydro-3-(3,5-o-((r)-mercaptophosphinylidene)-.beta.-d-ribofuranosyl)-6-phenyl-9h-imidazo(1,2-a)purin-9-one

    18. 2-bromo-3-(2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one

    19. 9h-imidazo(1,2-a)purin-9-one, 2-bromo-3,4-dihydro-3-(3,5-o-((r)-mercaptophosphinylidene)-.beta.-d-ribofuranosyl)-6-phenyl-

    2.4 Create Date
    2006-07-04
    3 Chemical and Physical Properties
    Molecular Weight 540.3 g/mol
    Molecular Formula C18H15BrN5O6PS
    XLogP31.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area163
    Heavy Atom Count32
    Formal Charge0
    Complexity934
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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