Penicillin Impurity 3

Base Information

• Chemical Name: Penicillin Impurity 3
• CAS No.: 76350-36-2
• Molecular Formula: C₈H₁₀ClNO₅S
• Molecular Weight: 267.69
• UNII: CT5L6F3V5J
• ChEMBL ID: CHEMBL304855
• Nikkaji Number: J891.314E

Synonyms:CHEMBL304855;Penicillin Impurity 3;CT5L6F3V5J;SCHEMBL10562430;BRL25248;BDBM50285121;BRL-25248;6alpha-Chloropenicillanic acid S,S-dioxide;6alpha-Chloropenicillanic acid 1,1-dioxide;(2S,5R,6S)-6-Chloro-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6S)-6-chloro-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-chloro-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R,6S)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-chloro-3,3-dimethyl-7-oxo-, 4,4-dioxide, [2S-(2alpha,5alpha,6alpha)]-;76350-36-2

Chemical Property of Penicillin Impurity 3

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 266.9968213
• Heavy Atom Count: 16
• Complexity: 479

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(C(N2C(S1(=O)=O)C(C2=O)Cl)C(=O)O)C
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@H](C2=O)Cl)C(=O)O)C

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