ChemicalBook--->CAS DataBase List--->96681-85-5

96681-85-5

96681-85-5 Structure

96681-85-5 Structure
IdentificationBack Directory
[Name]

3,6-Bis(2-hydroxyethyl)-2-pyrazinepropanoic Acid
[CAS]

96681-85-5
[Synonyms]

Potassium clavulanate B
Clavulanic acid Impurity B
Potassium Clavulanate impurity B
Potassium Clavulanate EP Impurity B
Clavulanate Potassium EP Impurity B
Pyrazinepropanoic acid, 3,6-bis(2-hydroxyethyl)-
3,6-Bis(2-hydroxyethyl)-2-pyrazinepropanoic Acid
3-(2-Carboxyethyl)-2,5-bis(2-hydroxyethyl)pyrazine
2-Pyrazinepropanoic acid, 3,6-bis(2-hydroxyethyl)-
3-(3,6-bis(2-hydroxyethyl)pyrazin-2-yl)propanoic acid
3,6-Bis(2-hydroxyethyl)-2-pyrazinepropanoic Acid Discontinued
Clavulanate Potassium Impurity 2(Clavulanate Potassium EP Impurity B)
[Molecular Formula]

C11H16N2O4
[MDL Number]

MFCD10688648
[MOL File]

96681-85-5.mol
[Molecular Weight]

240.26
Chemical PropertiesBack Directory
[Boiling point ]

451.3±40.0 °C(Predicted)
[density ]

1.331±0.06 g/cm3(Predicted)
[pka]

4.19±0.10(Predicted)
[InChI]

InChI=1S/C11H16N2O4/c14-5-3-8-7-12-9(4-6-15)10(13-8)1-2-11(16)17/h7,14-15H,1-6H2,(H,16,17)
[InChIKey]

LOAQLPWVJYSQKH-UHFFFAOYSA-N
[SMILES]

C1(CCC(O)=O)=NC(CCO)=CN=C1CCO
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

An impurity of Clavulanic acid (C563750). Clavulanic acid decomposition is catalyzed by the compound itself and by its decomposition products.
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