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    Technical details about Cs 023, learn more about the structure, uses, toxicity, action, side effects and more

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    Cs 023

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 222400-20-6, Cs-023, Ro-4908463, R-1558, R-115685, R-1l5685
    Molecular Formula
    C23H35N7O6S
    Molecular Weight
    537.6  g/mol
    InChI Key
    KEDAXBWZURNCHS-GPODMPQUSA-N
    FDA UNII
    1654W9611T
    Tomopenem is a 1-beta-methylcarbapenem antibiotic with broad-spectrum activity against gram-positive and gram-negative bacteria. Tomopenem has a longer half-life than imipenem-cilastatin or meropenem and shows activity against methicillin-resistant S. aureus.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1
    2.1.3 InChI Key
    KEDAXBWZURNCHS-GPODMPQUSA-N
    2.1.4 Canonical SMILES
    CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C)C(=O)N4CCC(C4)NC(=O)CN=C(N)N)C(=O)O)C(C)O
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C)C(=O)N4CC[C@@H](C4)NC(=O)CN=C(N)N)C(=O)O)[C@@H](C)O
    2.2 Other Identifiers
    2.2.1 UNII
    1654W9611T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cs 023

    2. Cs-023

    3. Cs023 Cpd

    4. R 115685

    5. R-115685

    6. R115685

    7. Ro4908463

    2.3.2 Depositor-Supplied Synonyms

    1. 222400-20-6

    2. Cs-023

    3. Ro-4908463

    4. R-1558

    5. R-115685

    6. R-1l5685

    7. Ro4908463

    8. Antibiotic Cs 023

    9. 1654w9611t

    10. R115685

    11. (4r,5s,6s)-3-[(3s,5s)-5-[(3s)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    12. 1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid, 3-(((3s,5s)-5-(((3s)-3-((((aminoiminomethyl)amino)acetyl)amino)-1-pyrrolidinyl)carbonyl)-1-methyl-3-pyrrolidinyl)thio)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-, (4r,5s,6s)-

    13. Tomopenem [usan]

    14. Tomopenem [usan:inn]

    15. R 115685

    16. Ro 4908463

    17. R 1558

    18. Unii-1654w9611t

    19. (4r,5s,6s)-3-(((3s,5s)-5-((s)-3-(2-guanidinoacetamido)pyrrolidine-1-carbonyl)-1-methylpyrrolidin-3-yl)thio)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[

    20. Cs 023

    21. Tomopenem [inn]

    22. Cs023 Cpd

    23. Tomopenem (usan/inn)

    24. Tomopenem [who-dd]

    25. Schembl304829

    26. Chembl389847

    27. Gtpl10869

    28. Dtxsid70873384

    29. Cs023

    30. Zinc3993831

    31. Bdbm50483019

    32. Hy-123022

    33. Cs-0079886

    34. D09022

    35. Q15427876

    36. (1r,5s,6s)-2-[(2s,4s)-2-[(3s)-3-(2-guanidinoacetylamino)pyrrolidin-1-ylcarbonyl]-1-methylpyrrolidin-4-ylthio]-6-[(1r)-1-hydroxyethyl]-1-methyl-1-carbapen-2-em-3-carboxylic Acid

    37. (1r,5s,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-[(2s,4s)-2-[(3s)-3-(2-guanidinoacetylamino)pyrrolidin-1-ylcarbonyl]-1-methylpyrrolidin-4-ylthio]-1-carbapen-2-em-3-carboxylic Acid

    38. (4r,5s,6s)-3-(((3s,5s)-5-(((3s)-3-((2-guanidinoacetyl)amino)pyrrolidin-1-yl)carbonyl)-1-methylpyrrolidin-3-yl)sulfanyl)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid

    39. (4r,5s,6s)-3-(((3s,5s)-5-((3s)-3-(carbamimidamidoacetamido)pyrrolidine-1-carbonyl)-1-methylpyrrolidin-3-yl)sulfanyl)-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic Acid

    40. (4r,5s,6s)-3-(((3s,5s)-5-((s)-3-(2-guanidinoacetamido)pyrrolidine-1-carbonyl)-1-methylpyrrolidin-3-yl)thio)-6-((r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    41. (4r,5s,6s)-3-[(3s,5s)-5-[(3s)-3-[(2-guanidinoacetyl)amino]pyrrolidine-1-carbonyl]-1-methyl-pyrrolidin-3-yl]sulfanyl-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    42. (4r,5s,6s)-3-{[(3s,5s)-5-{[(3s)-3-{[n-(diaminomethylidene)glycyl]amino}pyrrolidin-1-yl]carbonyl}-1-methylpyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 537.6 g/mol
    Molecular Formula C23H35N7O6S
    XLogP3-3.7
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass537.23695304 g/mol
    Monoisotopic Mass537.23695304 g/mol
    Topological Polar Surface Area220 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity1050
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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