Sodium [6R-[6alpha,7beta(R*)]]-7-[Amino(4-Hydroxyphenyl)Acetamido]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 42284-83-3]

Identification

• Name: Sodium [6R-[6alpha,7beta(R*)]]-7-[Amino(4-Hydroxyphenyl)Acetamido]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-7-[[2-Amino-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[2-Amino-2-(4-Hydroxyphenyl)Ethanoyl]Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₆H₁₆N₃NaO₅S
• Molecular Weight: 385.37
• CAS Registry Number: 42284-83-3
• EINECS: 255-750-3
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(O)C=C3)C([O-])=O)C.[Na+]
• InChI: 1S/C16H17N3O5S.Na/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);/q;+1/p-1/t10?,11-,15-;/m1./s1
• InChIKey: GQOVFIUWRATNJC-UAGBSFFESA-M

Properties

• Boiling point: 789.9°C at 760 mmHg (Cal.)
• Flash point: 431.5°C (Cal.)