Basic information
- Standard SMILES
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CC(C)S[C@H]12)c1nc(N)sc1Br.Cl- InChIKey
VAHFUFVZQDKBRS-XZSWKFEASA-N- Molecular formula
- C14H15BrClN5O5S2
- Average molar mass
- 512.8 g/mol
- Monoisotopic mass
- 510.93865
Names & identifiers
- Preferred name
- 7-[2-(2-Amino-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-2-methyl-3-cephem-4-carboxylic acid hydrochloride
- IUPAC
- (6R)-7-[[2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
Names & synonyms
VAHFUFVZQDKBRS-XZSWKFEASA-N7-[2-(2-amino-5-bromothiazol-4-yl)-2-methoxyiminoacetamido]-2-methyl-3-cephem-4-carboxylic acid hydrochloride
Database identifiers
- PubChem CID
- 131715364
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
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