Cas no 32887-01-7 (Mecillinam)

Mecillinam structure
Mecillinam structure
Product Name:Mecillinam
CAS No:32887-01-7
MF:C15H23N3O3S
MW:325.426422357559
MDL:MFCD00056869
CID:53976
Update Time:2025-04-18

Mecillinam Chemical and Physical Properties

Names and Identifiers

    • Mecillinam
    • Amdinocillin
    • (2S,5R,6R)-6-(Azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • MDL: MFCD00056869
    • 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: 325.14600
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Colorless crystal, odorless and tasteless
  • Density: 1.4400
  • Melting Point: 156°C
  • Boiling Point: 550.6°C at 760 mmHg
  • Flash Point: >110°(230°F)
  • Water Partition Coefficient: Soluble in water at approximately 1mg/ml
  • PSA: 98.51000
  • LogP: 1.28200
  • Specific Rotation: D20 +285° (c = 1 in 0.1N HCl)

Mecillinam Security Information

Mecillinam Pricemore >>

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Mecillinam Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:32887-01-7)Mecillinam
Order Number:A821488
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:09
Price ($):271.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:32887-01-7)Mecillinam
A821488
Purity:99%
Quantity:1g
Price ($):271.0
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