Potassium Clavulanate

HCID 23665591CAS 61177-45-5

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Basic information

Standard SMILES: O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+]
InChIKey: ABVRVIZBZKUTMK-JSYANWSFSA-M
Molecular formula: C8H8KNO5
Average molar mass: 237.25 g/mol
Monoisotopic mass: 237.00395384

Names & identifiers

Preferred name: Potassium Clavulanate
IUPAC: potassium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

Names & synonyms

Potassium clavulanate61177-45-5CLAVULANATE POTASSIUMAmonateBRL 14151KQ42OMW3AT8BRL-14151KCHEBI:85264DTXSID60210067AUGMENTIN COMPONENT CLAVULANATE POTASSIUM4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, monopotassium salt, (2R-(2alpha,3Z,5alpha))-Clavulanic Acid, Monopotassium Salt

Show more names

Clavulanate, PotassiumPotassium, ClavulanateRefChem:56807DTXCID601325584-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, Monopotassium Salt,(2R-(2alpha,3Z,5alpha))-Monopotassium (2R,5R)-3-((1Z)-2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylateClavulanic Acid Potassium SaltClavulanate (potassium)

Database identifiers

CAS: 61177-45-5
PubChem CID: 23665591
DTXSID: DTXSID60210067
ChEMBL: CHEMBL1003
ChEBI: CHEBI:85264
UNII: Q42OMW3AT8
EC Number: 262-640-9、689-367-1
Nikkaji: J1.462.355H、J86.067K

Properties

Computed structural properties

Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 329

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]；H252 (74.6%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures]；H317 (69.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (23.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (69.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H361 (13.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P210, P233, P235, P240, P241, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P321, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.