Sodium 6-(2-(2-(4-formyl-1-piperazinyl)-5,8-dihydro-5-oxopyrido-(2,3)pyrimidine-6-carboxamido)-4-hydroxyphenylacetamido)-penicillanate
[CAS# 85550-66-9]

Identification

• Name: Sodium 6-(2-(2-(4-formyl-1-piperazinyl)-5,8-dihydro-5-oxopyrido-(2,3)pyrimidine-6-carboxamido)-4-hydroxyphenylacetamido)-penicillanate
• Synonyms: (2S,5R,6R)-6-[[2-[[2-(4-Formylpiperazin-1-Yl)-5-Oxo-8H-Pyrido[6,5-D]Pyrimidine-6-Carbonyl]Amino]-2-(4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[[[2-(4-Formyl-1-Piperazinyl)-5-Oxo-8H-Pyrido[6,5-D]Pyrimidin-6-Yl]-Oxomethyl]Amino]-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[[2-(4-Formylpiperazin-1-Yl)-5-Keto-8H-Pyrido[6,5-D]Pyrimidine-6-Carbonyl]Amino]-2-(4-Hydroxyphenyl)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₉H₃₀N₈O₈S
• Molecular Weight: 650.66
• CAS Registry Number: 85550-66-9
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)C4=CNC3=NC(=NC=C3C4=O)N5CCN(CC5)C=O)C6=CC=C(O)C=C6)C(O)=O)(C)C
• InChI: 1S/C29H30N8O8S/c1-29(2)21(27(44)45)37-25(43)19(26(37)46-29)33-24(42)18(14-3-5-15(39)6-4-14)32-23(41)17-12-30-22-16(20(17)40)11-31-28(34-22)36-9-7-35(13-38)8-10-36/h3-6,11-13,18-19,21,26,39H,7-10H2,1-2H3,(H,32,41)(H,33,42)(H,44,45)(H,30,31,34,40)/t18?,19-,21+,26-/m1/s1
• InChIKey: YTJRZMJLBUOVBK-JHGBVSNDSA-N

Properties

• Density: 1.65g/cm³ (Cal.)