Sodium 6-[[3-(2-Chloro-6-Fluorophenyl)-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrate
[CAS# 34214-51-2]

Identification

• Name: Sodium 6-[[3-(2-Chloro-6-Fluorophenyl)-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrate
• Synonyms: Sodium 6-[[3-(2-Chloro-6-Fluoro-Phenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrate; Sodium 6-[[[3-(2-Chloro-6-Fluorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrate; Sodium 6-[[3-(2-Chloro-6-Fluoro-Phenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate Hydrate
• Molecular Formula: C₁₉H₁₈ClFN₃NaO₆S
• Molecular Weight: 493.87
• CAS Registry Number: 34214-51-2
• SMILES: C1=C(Cl)C(=C(F)C=C1)C2=NOC(=C2C(=O)NC4C3SC(C(N3C4=O)C([O-])=O)(C)C)C.[Na+].O
• InChI: 1S/C19H17ClFN3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1
• InChIKey: PARMJFIQRZRMHG-UHFFFAOYSA-M

Properties

• Boiling point: 677.3°C at 760 mmHg (Cal.)
• Flash point: 363.4°C (Cal.)