loader
Please Wait
Applying Filters...
menu
    • menu

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

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    Cs 023

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    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