2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Base Information

• Chemical Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS No.: 135821-54-4
• Molecular Formula: C22H28 N6 O8 S2
• Molecular Weight: 568.62
• UNII: 3MM3320LJN
• Nikkaji Number: J1.645.451F
• Wikidata: Q76309898
• NCI Thesaurus Code: C90828
• ChEMBL ID: CHEMBL2106058
• Mol file: 135821-54-4.mol

Synonyms:(2-(2-alanylaminothiazol-4-yl)-2-methoxyiminoacetamido)-3-cephem-4-carboxylate;AS 924;AS-924;ceftizoxime alapivoxil

Chemical Property of 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Property:

• Refractive Index: 1.686
• PSA: 245.15000
• Density: 1.567 g/cm³
• LogP: 1.25520
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 568.14100422
• Heavy Atom Count: 38
• Complexity: 1050

Purity/Quality:

98%,99%, ^*data from raw suppliers

CeftizoximeAlapivoxil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N
• Isomeric SMILES: C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N
• Uses: Ceftizoxime Alapivoxil can be used as reagent/reactant for industrial manufacture and synthetic preparation of Fmoc-L-alanine cefetamet pivoxil as pharmaceutical intermediate. It can also be used for biological study for its influence on intestinal bacterial flora in gnotobiotic mice inoculated with 4 bacterial strains. Ceftizoxime Alapivoxil can be obtained from N-tert-Boc-L-alanine (B600400) which is the protected form of L-Alanine (A481500), a non-essential amino acid that can be found naturally in the human body and is obtained by our diet.