4-Methoxybenzyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
[CAS# 53956-74-4]

Identification

• Name: 4-Methoxybenzyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
• Synonyms: GEO; Penicillin-G 4-methoxybenzyl ester sulfoxide; PENICILLIN-G-4-METHOXYBENZYL ESTER SULFOXIDE
• Molecular Formula: C₂₄H₂₆N₂O₆S
• Molecular Weight: 470.54
• CAS Registry Number: 53956-74-4
• SMILES: CC1([C@@H](N2[C@H](S1=O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)OCc4ccc(cc4)OC)C
• InChI: 1S/C24H26N2O6S/c1-24(2)20(23(29)32-14-16-9-11-17(31-3)12-10-16)26-21(28)19(22(26)33(24)30)25-18(27)13-15-7-5-4-6-8-15/h4-12,19-20,22H,13-14H2,1-3H3,(H,25,27)/t19-,20+,22-,33?/m1/s1
• InChIKey: HSSBYPUKMZQQKS-LPGANTDJSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 765.493°C at 760 mmHg (Cal.)
• Flash point: 416.755°C (Cal.)