Basic information
- CAS
86702-45-6- Standard SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2CN(S(=O)(=O)O)C2=O)c2ccc(O)cc2)C(=O)C1=O- InChIKey
NMCHLNSQORAFHJ-QWHCGFSZSA-N- Molecular formula
- C18H21N5O9S
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.10599844
Overview
cefoperazone monobactam analog; structure given in first source
Names & identifiers
- Preferred name
- Cefoperazone monobactam
- IUPAC
- (3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid
- English name
- cefoperazone monobactam
- Molecular formula
- C18H21N5O9S
- Molecular weight
- 483.45244
Names & synonyms
Cefoperazon monobaktamCefoperazone monobactam86702-45-6DTXSID002357791-Azetidinesulfonic acid, 3-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-2-oxo-, (S-(R*,S*))-RefChem:124238DTXCID80158270(S)-3-((R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-2-oxoazetidine-1-sulfonic acid(3S)-3-{[(2R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidine-1-sulfonic acid
Database identifiers
- CAS
86702-45-6- PubChem CID
- 135784
- DTXSID
DTXSID00235779
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 941
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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