Cefazedone Impurity 6
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Basic information
- CAS
56187-36-1- Standard SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cn3cc(Cl)c(=O)c(Cl)c3)[C@H]2SC1- InChIKey
PIGGEXTUKZGHDX-MLGOLLRUSA-N- Molecular formula
- C17H15Cl2N3O7S
- Average molar mass
- 476.3 g/mol
- Monoisotopic mass
- 475.0007764
Names & identifiers
- Preferred name
- Cefazedone Impurity 6
- IUPAC
- (6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- Cefazedone Related Impurity 6
- Molecular formula
- C17H15Cl2N3O7S
- Molecular weight
- 476.29
Names & synonyms
Cefazedone Impurity 656187-36-1H3WA99G2KA5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, (6R,7R)-(6R,7R)-3-(acetoxymethyl)-7-(2-(3,5-dichloro-4-oxopyridin-1(4H)-yl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, (6R-trans)-Cefazedone Impurity 8Cefazedone Impurity 1Cefazedone Related Impurity 6(6R)-3-acetoxymethyl-7t-[2-(3,5-dichloro-4-oxo-4H-pyridin-1-yl)-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
56187-36-1- PubChem CID
- 154996
- UNII
- H3WA99G2KA
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 924
Related reactions
0 records
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Compound notes
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