Fumoxicillin

Base Information

• Chemical Name: Fumoxicillin
• CAS No.: 78186-33-1
• Molecular Formula: C21H21 N3 O6 S
• Molecular Weight: 443.47
• European Community (EC) Number: 278-865-0
• UNII: C7H9M9492J
• ChEMBL ID: CHEMBL2107409
• DSSTox Substance ID: DTXSID301024624
• NCI Thesaurus Code: C76223
• Nikkaji Number: J32.854E
• Wikidata: Q27275290
• Mol file: 78186-33-1.mol

Synonyms:Fumoxicillin;78186-33-1;Fluroxicillin;FU-02;C7H9M9492J;(2S,5R,6R)-6-((R)-2-((Furan-2-ylmethylene)amino)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[(2R)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Fumoxicilina;Fumoxicilline;Fumoxicillinum;Furoxicilina;Furoxicilline;Furoxicillinum;Fumoxicilina [Spanish];Fumoxicilline [French];Fumoxicillinum [Latin];Fumoxicillin [USAN:INN];Fumoxicilina [INN-Spanish];Fumoxicilline [INN-French];Fumoxicillinum [INN-Latin];Furoxicilina [INN-Spanish];Furoxicilline [INN-French];Furoxicillinum [INN-Latin];UNII-C7H9M9492J;EINECS 278-865-0;FUROXICILLIN;Fumoxicillin (USAN/INN);FUMOXICILLIN [INN];FUMOXICILLIN [USAN];SCHEMBL193184;SCHEMBL193185;CHEMBL2107409;BWENFVHXWNVVGN-OAFZBRQQSA-N;DTXSID301024624;(2S,5R,6R)-6-((R)-2-(Furfurylideneamino)-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;NS00011645;D04270;Q27275290;(2S,5R,6R)-6-((R)-2-((Furan-2-ylmethylene)amino)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((((2-furanylmethylene)amino)(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-

Chemical Property of Fumoxicillin

Chemical Property:

• Vapor Pressure: 1.98E-24mmHg at 25°C
• Boiling Point: 762.3°C at 760 mmHg
• PKA: 2.44±0.50(Predicted)
• Flash Point: 414.8°C
• PSA: 157.74000
• Density: 1.54g/cm³
• LogP: 2.10590
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 443.11510657
• Heavy Atom Count: 31
• Complexity: 766

Purity/Quality:

98%Min ^*data from raw suppliers

FUMOXICILLIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N=CC4=CC=CO4)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N=CC4=CC=CO4)C(=O)O)C
• Uses: Antibacterial.