alpha-Carboxy-alpha-3-thienylmethylpenicillin

Base Information

• Chemical Name: alpha-Carboxy-alpha-3-thienylmethylpenicillin
• CAS No.: 3973-04-4
• Molecular Formula: C₁₅H₁₆N₂O₆S₂
• Molecular Weight: 384.434
• DSSTox Substance ID: DTXSID50872491
• Metabolomics Workbench ID: 144249
• ChEMBL ID: CHEMBL4303301

Synonyms:3973-04-4;Prestwick3_001067;BSPBio_001054;BPBio1_001160;CHEMBL4303301;SCHEMBL10738099;DTXSID50872491;alpha -Carboxy-alpha -3-thienylmethylpenicillin;EN300-19997192;(2S,5R,6R)-6-[2-carboxy-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Property of alpha-Carboxy-alpha-3-thienylmethylpenicillin

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 384.04497858
• Heavy Atom Count: 25
• Complexity: 640

Purity/Quality:

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=CSC=C3)C(=O)O)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C

Technology Process of alpha-Carboxy-alpha-3-thienylmethylpenicillin

There total 3 articles about alpha-Carboxy-alpha-3-thienylmethylpenicillin 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: 76.5%

monosodium ticarcillin + sodium 2-ethylhexanoic acid → ticarcillin (3973-04-4,34787-01-4,94493-53-5)

Guidance literature:

In ethanol; water;

Reference yield: 67.7%

→ ticarcillin (3973-04-4,34787-01-4,94493-53-5)

Guidance literature:

Reference yield:

→ (S)-6-(2-Carboxy-2-thiophen-3-yl-acetylamino)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (3973-04-4,34787-01-4,94493-53-5)

Guidance literature:

aus 6-Amino-penicillansaeure, Bis-trimethylsilylacetamid, 2,2-Dimethyl-5-(3-thienyl)-1,3-dioxan-4,6-dion;

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