Pivmecillinam

Base Information

• Chemical Name: Pivmecillinam
• CAS No.: 32886-97-8
• Molecular Formula: C21H33 N3 O5 S
• Molecular Weight: 439.576
• European Community (EC) Number: 251-276-6
• UNII: 1WAM1OQ30B
• DSSTox Substance ID: DTXSID7048538
• Nikkaji Number: J17.761J
• Wikipedia: Pivmecillinam
• Wikidata: Q418086
• NCI Thesaurus Code: C76216
• Metabolomics Workbench ID: 57657
• ChEMBL ID: CHEMBL1650818,CHEMBL1525183,CHEMBL1616433
• Mol file: 32886-97-8.mol

Synonyms:Amdinocillin Pivoxil;FL 1039;FL-1039;FL1039;Hydrochloride, Pivmecillinam;Mecillinam Pivaloyl Ester;Pivaloyl Ester, Mecillinam;Pivamdinocillin;Pivmecillinam;Pivmecillinam Hydrochloride;Pivoxil, Amdinocillin;Selexid

Chemical Property of Pivmecillinam

Chemical Property:

• Melting Point: 118-119 C
• Boiling Point: 581°Cat760mmHg
• PKA: 8.11±0.60(Predicted)
• Flash Point: 305.2°C
• PSA: 113.81000
• Density: 1.3g/cm³
• LogP: 2.28740
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble5mg/mL, clear (warmed)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 439.21409234
• Heavy Atom Count: 30
• Complexity: 710

Purity/Quality:

98%min ^*data from raw suppliers

Pivmecillinam ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)OCOC(=O)C(C)(C)C)C
• Recent ClinicalTrials: Clinical Effectiveness and Bacteriological Eradication of 4 Short-course Antibiotics for Uncomplicated UTIs in Women.
• Recent EU Clinical Trials: Clinical effectiveness and bacteriological eradication of 3 short-course antibiotic regimens and single-dose of fosfomicyn trometamol for lower urinary tract infections in adult women [SCOUT study].
• Uses: Antibacterial.
• Therapeutic Function: Antibacterial

Technology Process of Pivmecillinam

There total 2 articles about Pivmecillinam which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 6β-azepan-1-ylmethyleneamino-penicillanic acid 2,2-dimethyl-propionyloxymethyl ester (32886-97-8)

Guidance literature:

entspr.6-Amin, Hexamethylenimin, HC(OC2H5)3;

Reference yield:

→ 6-β-<(Hexahydro-1H-azepin-1-yl)methylenamino>penicillansaeure-pivaloyloxymethylester (32886-97-8)

Guidance literature:

6-Aminopenicillansaeure-Pivaloyloxymethylester, Hexamethylenamin/Orthoameisensaeuretriaethylester;