Penicillin O Potassium
[CAS# 897-61-0]

Identification

• Name: Penicillin O Potassium
• Synonyms: Potassium (2S,6R)-6-[(2-Allylsulfanylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; Potassium (2S,6R)-6-[[2-(Allylthio)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; Potassium (2S,6R)-6-[[2-(Allylthio)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₈KN₂O₄S₂
• Molecular Weight: 369.51
• CAS Registry Number: 897-61-0
• SMILES: [C@H]2(NC(=O)CSCC=C)C1SC([C@@H](N1C2=O)C(O)=O)(C)C.[K+]
• InChI: 1S/C13H18N2O4S2.K/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15;/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19);/q;+1/t8-,9+,11?;/m1./s1
• InChIKey: ONYTXCTVWDZLFD-CIISUUNXSA-N

Properties

• Boiling point: 629.8°C at 760 mmHg (Cal.)
• Flash point: 334.7°C (Cal.)