(5-Dimethylaminocarbonylpyrrolidin-3-Ylthio)-6-(1-Hydroxyethyl)Penem-3-Carboxylic Acid
[CAS# 96036-10-1]

Identification

• Name: (5-Dimethylaminocarbonylpyrrolidin-3-Ylthio)-6-(1-Hydroxyethyl)Penem-3-Carboxylic Acid
• Synonyms: (5R,6S)-3-[[(3S,5S)-5-(Dimethylamino-Oxomethyl)-3-Pyrrolidinyl]Thio]-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6S)-3-[[(3S,5S)-5-(Dimethylcarbamoyl)Pyrrolidin-3-Yl]Thio]-6-(1-Hydroxyethyl)-7-Keto-4-Thia-1-Azabicyc
• Molecular Formula: C₁₅H₂₁N₃O₅S₂
• Molecular Weight: 387.47
• CAS Registry Number: 96036-10-1
• SMILES: [C@H]12SC(=C(N1C(=O)[C@@H]2[C@H](O)C)C(=O)O)S[C@H]3C[C@H](NC3)C(=O)N(C)C
• InChI: 1S/C15H21N3O5S2/c1-6(19)9-12(21)18-10(14(22)23)15(25-13(9)18)24-7-4-8(16-5-7)11(20)17(2)3/h6-9,13,16,19H,4-5H2,1-3H3,(H,22,23)/t6-,7+,8+,9+,13-/m1/s1
• InChIKey: OMSJJBDAJCLUCT-WDQDWKLCSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Boiling point: 652.8°C at 760 mmHg (Cal.)
• Flash point: 348.601°C (Cal.)