(6R-(6alpha,7beta(R*)))-7-((5-Amino-5-Carboxy-1-Oxopentyl)Amino)-3-(Hydroxymethyl)-7-Methoxy-5-Thia-1-Azabicyclo(4.2.0)Oct-2-Ene-2-Carboxylic Acid Monosodium Salt
[CAS# 81517-91-1]

Identification

• Name: (6R-(6alpha,7beta(R*)))-7-((5-Amino-5-Carboxy-1-Oxopentyl)Amino)-3-(Hydroxymethyl)-7-Methoxy-5-Thia-1-Azabicyclo(4.2.0)Oct-2-Ene-2-Carboxylic Acid Monosodium Salt
• Synonyms: Sodium (6R,7R)-7-[(5-Amino-6-Hydroxy-6-Oxo-Hexanoyl)Amino]-3-(Hydroxymethyl)-7-Methoxy-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[(5-Amino-6-Hydroxy-1,6-Dioxohexyl)Amino]-3-(Hydroxymethyl)-7-Methoxy-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[(5-Amino-6-Hydroxy-6-Keto-Hexanoyl)Amino]-7-Methoxy-3-Methylol-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₅H₂₂N₃NaO₇S
• Molecular Weight: 411.40
• CAS Registry Number: 81517-91-1
• SMILES: [C@H]12SCC(=C(N1C[C@]2(OC)NC(=O)CCCC(N)C(=O)O)C([O-])=O)CO.[Na+]
• InChI: 1S/C15H23N3O7S.Na/c1-25-15(17-10(20)4-2-3-9(16)12(21)22)7-18-11(13(23)24)8(5-19)6-26-14(15)18;/h9,14,19H,2-7,16H2,1H3,(H,17,20)(H,21,22)(H,23,24);/q;+1/p-1/t9?,14-,15-;/m1./s1
• InChIKey: LQCWMZOBDLQQBP-YTXFTZFESA-M

Properties

• Boiling point: 772.9°C at 760 mmHg (Cal.)
• Flash point: 421.2°C (Cal.)