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    Technical details about Sm-216601, learn more about the structure, uses, toxicity, action, side effects and more

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    Sm-216601

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 426253-04-5, Smp-601, Sm-216601, Pz-601, 26020h3q1l, (4r,5s,6s)-3-[[4-[(5s)-2,5-dihydro-5-methyl-1h-pyrrol-3-yl]-2-thiazolyl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
    Molecular Formula
    C18H21N3O4S2
    Molecular Weight
    407.5  g/mol
    InChI Key
    XFGOMLIRJYURLQ-GOKYHWASSA-N
    FDA UNII
    26020H3Q1L
    Razupenem is a broad-spectrum carbapenem with activity against gram-positive bacteria, including methicillin-resistant S. aureus.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[4-[(5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1
    2.1.3 InChI Key
    XFGOMLIRJYURLQ-GOKYHWASSA-N
    2.1.4 Canonical SMILES
    CC1C=C(CN1)C2=CSC(=N2)SC3=C(N4C(C3C)C(C4=O)C(C)O)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@H]1C=C(CN1)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    26020H3Q1L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sm-216601

    2.3.2 Depositor-Supplied Synonyms

    1. 426253-04-5

    2. Smp-601

    3. Sm-216601

    4. Pz-601

    5. 26020h3q1l

    6. (4r,5s,6s)-3-[[4-[(5s)-2,5-dihydro-5-methyl-1h-pyrrol-3-yl]-2-thiazolyl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    7. (4r,5s,6s)-6-((r)-1-hydroxyethyl)-4-methyl-3-((4-((s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl)thiazol-2-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    8. (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3-[[4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl]-1,3-thiazol-2-yl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    9. (4r,5s,6s)-3-[[4-[(5s)-2,5-dihydro-5-methyl-1h-pyrrol-3-yl]-2-thiazolyl]thio]-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid

    10. (4r,5s,6s)-6-((1r)-1-hydroxyethyl)-4-methyl-3-((4-((5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl)thiazol-2-yl)sulfanyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid

    11. 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid, 3-((4-((5s)-2,5-dihydro-5-methyl-1h-pyrrol-3-yl)-2-thiazolyl)thio)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-, (4r,5s,6s)-

    12. Razupenem [usan]

    13. (4r,5s,6s)-6-((r)-1-hydroxyethyl)-4-methyl-3-((4-((s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl)thiazol-2-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic A

    14. Razupenem [usan:inn]

    15. Unii-26020h3q1l

    16. (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3-({4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl]-1,3-thiazol-2-yl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    17. (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3-({4-[(5s)-5-methyl-2,5-dihydro-1h-pyrrol-3-yl}-1,3-thiazol-2-yl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    18. Razupenem [inn]

    19. Razupenem (usan/inn)

    20. Razupenem [who-dd]

    21. Schembl2894324

    22. Chembl1256722

    23. Gtpl10851

    24. Dtxsid801045429

    25. Zinc3986713

    26. Db12587

    27. D09658

    28. 253d045

    29. Q15410192

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 407.5 g/mol
    Molecular Formula C18H21N3O4S2
    XLogP3-1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass407.09734851 g/mol
    Monoisotopic Mass407.09734851 g/mol
    Topological Polar Surface Area156 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity740
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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