loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about CAS-551-16-6, 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

    CAS-551-16-6

    ACTIVE PHARMA INGREDIENTS

    PRICE INFORMATION

    DIGITAL CONTENT

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 40Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 551-16-6, 6-apa, Penicin, Penin, Aminopenicillanic acid, 6-aps
    Molecular Formula
    C8H12N2O3S
    Molecular Weight
    216.26  g/mol
    InChI Key
    NGHVIOIJCVXTGV-ALEPSDHESA-N
    FDA UNII
    QR0C4R7XVN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
    2.1.3 InChI Key
    NGHVIOIJCVXTGV-ALEPSDHESA-N
    2.1.4 Canonical SMILES
    CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C
    2.1.5 Isomeric SMILES
    CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C
    2.2 Other Identifiers
    2.2.1 UNII
    QR0C4R7XVN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-apa Cpd

    2. Aminopenicillanic Acid

    3. Aminopenicillanic Acid, Potassium Salt

    4. Aminopenicillanic Acid, Sodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. 551-16-6

    2. 6-apa

    3. Penicin

    4. Penin

    5. Aminopenicillanic Acid

    6. 6-aps

    7. (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    8. Phenacyl 6-aminopenicillinate

    9. 6-aminopenicillamine Acid

    10. (+)-6-aminopenicillanic Acid

    11. 6-aminopenicillanate

    12. Ai3-52557

    13. Chebi:16705

    14. 6-amino-penicillanic Acid

    15. Mfcd00005176

    16. Qr0c4r7xvn

    17. 6beta-aminopenicillanic Acid

    18. (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure

    19. Chembl1236749

    20. 6-amino-2,2-dimethylpenam-3alpha-carboxylic Acid

    21. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,5r,6r)-

    22. Sr-01000640154-1

    23. 6-aminopenicillanicacid

    24. 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,5r,6r)-

    25. Einecs 208-993-4

    26. Unii-qr0c4r7xvn

    27. Nsc 50071

    28. Nsc-50071

    29. Ncgc00160198-01

    30. (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid

    31. (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (6-aminopenicillanic Acid)

    32. Amino Penicillanic Acid

    33. 6-aminopenicillanic-acid

    34. 6-aminopenici Llanic Acid

    35. Bmse000312

    36. Epitope Id:117703

    37. Ec 208-993-4

    38. Dsstox_cid_26097

    39. Dsstox_rid_81336

    40. Dsstox_gsid_46097

    41. Schembl66332

    42. Amoxicillin Related Compound A

    43. Dtxsid7046097

    44. 09070_fluka

    45. 6-aminopenicillinic Acid (6-apa)

    46. Bcp13375

    47. Str03060

    48. Zinc3860188

    49. Tox21_111749

    50. Bdbm50420257

    51. Ccg-50809

    52. S5035

    53. (+)-6-aminopenicillanic Acid, 96%

    54. 6-aminopenicillanic Acid [mi]

    55. Akos015907713

    56. Cs-w014265

    57. Hy-w013549

    58. Ks-5277

    59. S12351

    60. Ac-11282

    61. Cas-551-16-6

    62. Ampicillin Impurity A [ep Impurity]

    63. Piperacillin Sodium Impurity H [ep]

    64. A0800

    65. Amoxicillin Related Compound A [usp-rs]

    66. C02954

    67. (+)-6-aminopenicillanic Acid, Analytical Standard

    68. A830497

    69. Sulbactam Sodium Impurity B [ep Impurity]

    70. Amoxicillin Sodium Impurity A [ep Impurity]

    71. Cloxacillin Sodium Impurity C [ep Impurity]

    72. Q2823234

    73. W-105586

    74. 6beta-amino-2,2-dimethylpenam-3alpha-carboxylic Acid

    75. Amoxicillin Related Compound A [usp Impurity]

    76. Amoxicillin Trihydrate Impurity A [ep Impurity]

    77. Ampicillin Trihydrate Impurity A [ep Impurity]

    78. Dicloxacillin Sodium Impurity C [ep Impurity]

    79. Benzylpenicillin Sodium Impurity A [ep Impurity]

    80. Phenoxymethylpenicillin Impurity C [ep Impurity]

    81. Z1741972222

    82. (3s,5r,6r)-6-amino-2,2-dimethylpenam-3-carboxylic Acid

    83. Benzylpenicillin Potassium Impurity A [ep Impurity]

    84. (3s, 5r, 6r)-6-amino-2,2-dimethylpenam-3-carboxylic Acid

    85. Oxacillin Sodium Monohydrate Impurity A [ep Impurity]

    86. Phenoxymethylpenicillin Potassium Impurity C [ep Impurity]

    87. Flucloxacillin Impurity C, European Pharmacopoeia (ep) Reference Standard

    88. (2s)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    89. Amoxicillin Related Compound A, United States Pharmacopeia (usp) Reference Standard

    90. (2s,5r,6r)-(+)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    91. (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid

    92. [2s-(2alpha,5alpha,6beta)]-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    93. 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,6r)-

    94. 6-apa (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Penicin Penin

    95. Rel-(2r,6s)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid

    96. X1e

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 216.26 g/mol
    Molecular Formula C8H12N2O3S
    XLogP3-2.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass216.05686342 g/mol
    Monoisotopic Mass216.05686342 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity318
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1