3-((Acetyloxy)methyl)-7-(2-(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1- InChIKey
GPRBEKHLDVQUJE-UHFFFAOYSA-N- Molecular formula
- C16H17N5O7S2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.05694025
Names & identifiers
- Preferred name
- 3-((Acetyloxy)methyl)-7-(2-(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- IUPAC
- 3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
RefChem:1066326DTXCID80810245DTXSID808607853-((Acetyloxy)methyl)-7-(2-(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidCefotaxime (sodium salt)Cefotaxim (sodium salt); HR-756 (sodium salt)SCHEMBL1583477CHEMBL4595304NCA52753s4720Q271662883-(acetyloxymethyl)-7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- PubChem CID
- 2632
- ChEMBL
CHEMBL4595304
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 833
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Related reactions
1 records
Compound notes
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