Sultamicillin

Base Information

• Chemical Name: Sultamicillin
• CAS No.: 76497-13-7
• Molecular Formula: C25H30N4O9S2
• Molecular Weight: 594.667
• Hs Code.: 2934999090
• UNII: 65DT0ML581
• DSSTox Substance ID: DTXSID501010077
• Nikkaji Number: J34.488E
• Wikipedia: Sultamicillin
• Wikidata: Q617686
• NCI Thesaurus Code: C28823
• Metabolomics Workbench ID: 57865
• ChEMBL ID: CHEMBL506110
• Mol file: 76497-13-7.mol

Synonyms:ampicillin-sulbactam;Combisid;CP 49,952;CP 49952;sultamicillin;Unasyn

Chemical Property of Sultamicillin

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 8.68E-34mmHg at 25°C
• Melting Point: 190°
• Refractive Index: 1.668
• Boiling Point: 907.7 °C at 760 mmHg
• PKA: 12.15±0.60(Predicted)
• Flash Point: 502.8 °C
• PSA: 216.16000
• Density: 1.55 g/cm³
• LogP: 1.45920
• Storage Temp.: 2-8°C
• Solubility.: Practically insoluble in water, very slightly soluble in methanol, practically insoluble in ethanol (96 per cent).
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 594.14542089
• Heavy Atom Count: 40
• Complexity: 1240

Purity/Quality:

99% ^*data from raw suppliers

Sultamicillin ^*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=CC=C3)N)C(=O)OCOC(=O)C4C(S(=O)(=O)C5N4C(=O)C5)(C)C)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)[C@H]4C(S(=O)(=O)[C@H]5N4C(=O)C5)(C)C)C
• Recent ClinicalTrials: Study to Demonstrate That Antibiotics Are Not Needed in Moderate Acute Exacerbations of COPD
• Recent EU Clinical Trials: Placebo-kontrollierte, multizentrische, randomisierte, doppelblinde Phase III-Studie zur Verbesserung der gastrointestinalen Vertr?glichkeit einer per-oralen Antibiotikatherapie durch add-on-Gabe von Lactobacillus rhamnosus GG (InfectoDiarrstop? LGG? Mono Kapseln) bezogen auf die H?ufigkeit einer AAD bei Kindern unter 2 Jahren
• Uses: Antibacterial.

Technology Process of Sultamicillin

There total 18 articles about Sultamicillin 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: 80.0%

1,1-dioxopenicillanoyloxymethyl 6-[D-α-(benzylideneaminophenylacetamido)]penicillanate → sultamicillin T (76497-13-7)

Guidance literature:

With girard's reagent P; toluene-4-sulfonic acid; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)00599-3

Reference yield:

1,1-dioxopenicillanoyloxymethyl 6-[D-α-(t-butylmethylidenaminophenylacetamido)]penicillanate → sultamicillin T (76497-13-7)

Guidance literature:

With girard's reagent P; toluene-4-sulfonic acid; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)00599-3

Reference yield:

1,1-dioxopenicillanoyloxymethyl 6-[D-α-(2-furylmethylidenaminophenylacetamido)]penicillanate → sultamicillin T (76497-13-7)

Guidance literature:

With girard's reagent P; toluene-4-sulfonic acid; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)00599-3

upstream raw materials:

iodomethyl penicillanate 1,1-dioxide

ampicillin sodium salt

Refernces