CID 6918231

Base Information

• Chemical Name: CID 6918231
• CAS No.: 140128-74-1
• Molecular Formula: C15H14 N8 O5 S4
• Molecular Weight: 514.58
• DSSTox Substance ID: DTXSID50161236
• Nikkaji Number: J534.563D
• Wikipedia: Cefmatilen
• Wikidata: Q5057233
• NCI Thesaurus Code: C76168
• Mol file: 140128-74-1.mol

Synonyms:7-(2-(2-aminothiazol-4--yl)-2-hydroxyiminoacetamido)-8-oxo-3-(1H-1,2,3-triazol-4-yl)thiomethylthio-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;cefmatilen;prop-INN

Chemical Property of CID 6918231

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 308.14000
• Density: 2.14g/cm³
• LogP: 0.90910
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 513.99700027
• Heavy Atom Count: 32
• Complexity: 860

Purity/Quality:

98%Min ^*data from raw suppliers

CEFMATILEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)SCSC4=NNN=C4
• Isomeric SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)O)SCSC4=NNN=C4