Decarbamylcefoxitin Lactone
Basic information
- CAS
1422023-33-3- Standard SMILES
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C3=C(COC3=O)CS[C@@H]21- InChIKey
ZNHLCKJVGCWLCR-CABCVRRESA-N- Molecular formula
- C15H14N2O5S2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.0344139
Names & identifiers
- Preferred name
- Decarbamylcefoxitin Lactone
- IUPAC
- N-[(4S,5R)-4-methoxy-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-thiophen-2-ylacetamide
- English name
- Cefoxitin EP Impurity D
- Molecular formula
- C15H14N2O5S2
- Molecular weight
- 366.41
Names & synonyms
1422023-33-3Decarbamylcefoxitin LactoneN-[(5aR,6S)-1,4,5a,6-Tetrahydro-6-methoxy-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]-2-thiopheneacetamideN-[(4S,5R)-4-Methoxy-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-thiophen-2-ylacetamideN-((5aR,6S)-6-methoxy-1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)-2-(thiophen-2-yl)acetamideCefoxitin EP Impurity DCefoxitin lactoneMAZ3H38FEJCefoxitin Sodium EP Impurity DCefoxitin Sodium EP Impurity JH60244CEFOXITIN SODIUM IMPURITY J [EP IMPURITY]
Show more names
Cefoxitin Sodium Impurity DCefoxitin EP Impurity D(Cefoxitin Lactone)
2-Thiopheneacetamide, N-[(5aR,6S)-1,4,5a,6-tetrahydro-6-methoxy-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]-Decarbamylcefoxitin Lactone; (5aR,6S)-6-Methoxy-6-[[(thiophen-2-yl)acetyl]amino]-5a,6-dihydro-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazine-1,7(4H)-dione; Cefoxitin lactone; 2-Thiopheneacetamide, N-[(5aR,6S)-1,4,5a,6-tetrahydro-6-methoxy-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazN-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]-2-(thiophen-2-yl)acetamide
Database identifiers
- CAS
1422023-33-3- PubChem CID
- 129010482
- UNII
- MAZ3H38FEJ
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 652
Chemistry & industry
Applications
UsesDecarbamylcefoxitin Lactone (Cefoxitin impurity D)is an impurity ofCefoxitin (C243190), which is a semi-synthetic antibiotic derived from Cephamycin C, possessing high resistance to β-lactamase inactivation.
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Compound notes
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