Sodium (6S,7S)-3-(Acetoxymethyl)-7-({[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]Carbonyl}Amino)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 23179-69-3]

Identification

• Name: Sodium (6S,7S)-3-(Acetoxymethyl)-7-({[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]Carbonyl}Amino)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: sodium (6R-trans)-3-(acetoxymethyl)-7-[[[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Molecular Formula: C₂₁H₁₇ClN₃NaO₇S
• Molecular Weight: 513.88
• CAS Registry Number: 23179-69-3
• EINECS: 245-475-7
• SMILES: [Na+].Clc1ccccc1c2noc(C)c2C(=O)N[C@H]4C(=O)N3[C@H]4SCC(COC(C)=O)=C3C([O-])=O
• InChI: 1S/C21H18ClN3O7S.Na/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25;/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30);/q;+1/p-1/t16-,20-;/m0./s1
• InChIKey: IYZQROLGTPZBMS-XXRBRTKDSA-M

Properties

• Refractive index: (Cal.)