Phenoxymethylpenicillin sodium
[CAS# 1098-87-9]

Identification

• Name: Phenoxymethylpenicillin sodium
• Synonyms: Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[2-(Phenoxy)Ethanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₆H₁₇N₂NaO₅S
• Molecular Weight: 372.37
• CAS Registry Number: 1098-87-9
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C16H18N2O5S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
• InChIKey: LFBBSWBQNQXKPF-LQDWTQKMSA-M

Properties

• Boiling point: 681.4°C at 760 mmHg (Cal.)
• Flash point: 365.9°C (Cal.)