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    Relmapirazin

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    2D Structure
    Also known as: Relmapirazin [inn], Relmapirazin [usan], Mb-102, Q3uqb8pq6h, D-serine, n,n'-((3,6-diamino-2,5-pyrazinediyl)dicarbonyl)bis-, N,n'-((3,6-diamino-2,5-pyrazinediyl)dicarbonyl)bis(d-serine)
    Molecular Formula
    C12H16N6O8
    Molecular Weight
    372.29  g/mol
    InChI Key
    XHNJXRDGTITISI-QWWZWVQMSA-N
    FDA UNII
    Q3UQB8PQ6H
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-[[3,6-diamino-5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
    2.1.2 InChI
    InChI=1S/C12H16N6O8/c13-7-5(9(21)15-3(1-19)11(23)24)17-8(14)6(18-7)10(22)16-4(2-20)12(25)26/h3-4,19-20H,1-2H2,(H2,14,17)(H2,13,18)(H,15,21)(H,16,22)(H,23,24)(H,25,26)/t3-,4-/m1/s1
    2.1.3 InChI Key
    XHNJXRDGTITISI-QWWZWVQMSA-N
    2.1.4 Canonical SMILES
    C(C(C(=O)O)NC(=O)C1=C(N=C(C(=N1)N)C(=O)NC(CO)C(=O)O)N)O
    2.1.5 Isomeric SMILES
    C([C@H](C(=O)O)NC(=O)C1=C(N=C(C(=N1)N)C(=O)N[C@H](CO)C(=O)O)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    Q3UQB8PQ6H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,6-diamino-2,5-bis(n-((1r)-1-carboxy-2 Hydroxyethyl)carbamoyl)pyrazine

    2. Mb-102

    2.3.2 Depositor-Supplied Synonyms

    1. Relmapirazin [inn]

    2. Relmapirazin [usan]

    3. Mb-102

    4. Q3uqb8pq6h

    5. D-serine, N,n'-((3,6-diamino-2,5-pyrazinediyl)dicarbonyl)bis-

    6. N,n'-((3,6-diamino-2,5-pyrazinediyl)dicarbonyl)bis(d-serine)

    7. 1313706-17-0

    8. Lumitrace

    9. Unii-q3uqb8pq6h

    10. Relmapirazin (usan/inn)

    11. Relmapirazin [usan:inn]

    12. Chembl1949708

    13. Schembl16738795

    14. Who 10626

    15. D11637

    16. 3,6-diamino-2,5-bis(n-((1r)-1-carboxy-2 Hydroxyethyl)carbamoyl)pyrazine

    2.4 Create Date
    2011-10-17
    3 Chemical and Physical Properties
    Molecular Weight 372.29 g/mol
    Molecular Formula C12H16N6O8
    XLogP3-2.7
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass372.10296149 g/mol
    Monoisotopic Mass372.10296149 g/mol
    Topological Polar Surface Area251 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity512
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1