Penicillin V
[CAS# 87-08-1]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound >> Nitropyridine
• Name: Penicillin V
• Synonyms: Potassium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenoxyethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenoxyacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Potassium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenoxyethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₆H₁₇KN₂O₅S
• Molecular Weight: 388.48
• CAS Registry Number: 87-08-1
• EINECS: 201-722-0
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C([O-])=O)(C)C.[K+]
• InChI: 1S/C16H18N2O5S.K/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: HCTVWSOKIJULET-LQDWTQKMSA-M

Properties

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

References

• (1): Beatriz Rasines, Javier Sánchez-Nieves, Irene T. Molina, Manuel Guzmán, Ma Ángeles Muñoz-Fernández, Rafael Gómez and F. Javier de la Mata. Synthesis and fluorescent properties of cationic carbosilane dendrimers containing eugenol linkers for their use in biomedical applications, New J. Chem., 2012, 36, 360.