Benzathine Penicillin V
[CAS# 5928-84-7]

Identification

• Name: Benzathine Penicillin V
• Synonyms: N,N'-Dibenzylethane-1,2-Diamine; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenoxyethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; Benzyl-[2-(Benzylamino)Ethyl]Amine; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenoxyacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₄₈H₅₆N₆O₁₀S₂
• Molecular Weight: 941.12
• CAS Registry Number: 5928-84-7
• EINECS: 227-667-2
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(=O)O)(C)C.[C@H]45SC([C@@H](N4C(=O)[C@H]5NC(=O)COC6=CC=CC=C6)C(=O)O)(C)C.C(NCCNCC7=CC=CC=C7)C8=CC=CC=C8
• InChI: 1S/2C16H18N2O5S.C16H20N2/c2*1-16(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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1
• InChIKey: BBTOYUUSUQNIIY-ANPZCEIESA-N

Properties

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