Cas no 79580-20-4 (mecillinam)

mecillinam structure
mecillinam structure
Product Name:mecillinam
CAS No:79580-20-4
MF:C15H23N3O3S
MW:325.426422357559
CID:984755
PubChem ID:36273
Update Time:2025-04-20

mecillinam Chemical and Physical Properties

Names and Identifiers

    • mecillinam
    • Mecillinam;Coactin;FL 1060
    • CAS-32887-01-7
    • Amdinocillin [USAN]
    • mecilinam
    • C21545
    • CHEBI:51208
    • (2S,5R,6R)-6-(((Hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    • (2S,5R,6R)-6-(((E)-Azepan-1-ylmethylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Mecillinamum
    • SELECIDIN
    • Penicillin HX
    • (2S,5R,6R)-6-{[(1E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • CHEMBL258646
    • AKOS022185296
    • MECILLINAM [MART.]
    • MECILLINAM [WHO-DD]
    • MLS001424041
    • DTXSID3022584
    • Tox21_112209_1
    • Tox21_112209
    • 6beta-(((azepan-1-yl)methylidene)amino)-2,2-dimethylpenam-3alpha-carboxylic acid
    • Hexacillin
    • BRD-K41051431-001-01-6
    • Mecilinamo
    • CCG-100873
    • (2S,5R,6R)-6-((azepan-1-ylmethylidene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    • Amdinocillin (USAN)
    • DB01163
    • MECILLINAM (MART.)
    • HMS2051E14
    • AMDINOCILLIN [MI]
    • CS-0017618
    • (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • HY-A0269
    • Amdinocillin (~85%)
    • Mecillinam, VETRANAL(TM), analytical standard
    • FL 1060
    • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2alpha,5alpha,6beta)0-
    • GTPL12813
    • Coactin
    • NS00011614
    • J01CA11
    • 6-((Hexahydro-1H-azepin-1-yl)methyleneamino)penicillanic acid
    • 32887-01-7
    • Mecillinamum [INN-Latin]
    • NS00070557
    • UNII-V10579P3QZ
    • CHEMBL530
    • Mecillinam [INN]
    • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
    • NCGC00164583-02
    • Amdinocillin [USAN:USP]
    • SCHEMBL34388
    • EINECS 251-277-1
    • D02888
    • FS-4354
    • Q13019044
    • Ro 10-9070
    • Selexidin
    • AKOS040744826
    • (2S,5R,6R)-6-((E)-azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • SMR000466361
    • s6584
    • Ro-10-9070
    • AMDINOCILLIN [ORANGE BOOK]
    • FL-1060
    • (2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • MECILLINAM [JAN]
    • Mecilinamo [INN-Spanish]
    • NC00123
    • MLS000759478
    • MICILLINAM
    • (2S,5R,6R)-6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID.
    • V10579P3QZ
    • 6beta-{[(azepan-1-yl)methylidene]amino}-2,2-dimethylpenam-3alpha-carboxylic acid
    • 79580-20-4
    • Coactin (TN)
    • NCGC00188988-01
    • DTXCID202584
    • Mecillinam (INN)
    • SCHEMBL34387
    • AB01209740-01
    • Ro 109070
    • AMDINOCILLIN
    • AC-32602
    • NCGC00164583-01
    • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.)0-
    • MFCD00056869
    • 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylic acid
    • BWWVAEOLVKTZFQ-NTZNESFSSA-N
    • Inchi: 1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/b16-9+/t10-,11+,13-/m1/s1
    • InChI Key: BWWVAEOLVKTZFQ-ISVUSNJMSA-N
    • SMILES: S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)/N=C/N1CCCCCC1)=O

Computed Properties

  • Exact Mass: 325.14601278g/mol
  • Monoisotopic Mass: 325.14601278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 500
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 98.5?2

Experimental Properties

  • LogP: 1.3
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