6alpha-[[(R)-3-(4-Methylphenoxy)-1,3-Dioxo-2-(3-Thienyl)Propyl]Amino]Penicillanic Acid Sodium Salt
[CAS# 59070-06-3]

Identification

• Name: 6alpha-[[(R)-3-(4-Methylphenoxy)-1,3-Dioxo-2-(3-Thienyl)Propyl]Amino]Penicillanic Acid Sodium Salt
• Synonyms: Sodium 3,3-Dimethyl-6-[[3-(4-Methylphenoxy)-3-Oxo-2-(3-Thienyl)Propanoyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium 3,3-Dimethyl-6-[[3-(4-Methylphenoxy)-1,3-Dioxo-2-(3-Thienyl)Propyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium 7-Keto-6-[[3-Keto-3-(4-Methylphenoxy)-2-(3-Thienyl)Propanoyl]Amino]-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₂H₂₁N₂NaO₆S₂
• Molecular Weight: 496.53
• CAS Registry Number: 59070-06-3
• SMILES: C4=C(C(C(=O)NC2C1SC(C(N1C2=O)C([O-])=O)(C)C)C(OC3=CC=C(C=C3)C)=O)C=CS4.[Na+]
• InChI: 1S/C22H22N2O6S2.Na/c1-11-4-6-13(7-5-11)30-21(29)14(12-8-9-31-10-12)17(25)23-15-18(26)24-16(20(27)28)22(2,3)32-19(15)24;/h4-10,14-16,19H,1-3H3,(H,23,25)(H,27,28);/q;+1/p-1
• InChIKey: JNUHVWONFHNMHH-UHFFFAOYSA-M

Properties

• Boiling point: 788.8°C at 760 mmHg (Cal.)
• Flash point: 430.8°C (Cal.)