Nitrocefin
[CAS 41906-86-9]

Identification

• Name: Nitrocefin
• Synonyms: (6R,7R)-3-[(E)-2-(2,4-Dinitrophenyl)Vinyl]-8-Oxo-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-[(E)-2-(2,4-Dinitrophenyl)Vinyl]-8-Oxo-7-[[1-Oxo-2-(2-Thienyl)Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-[(E)-2-(2,4-Dinitrophenyl)Vinyl]-8-Keto-7-[[2-(2-Thienyl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₆N₄O₈S₂
• Molecular Weight: 516.50
• CAS Registry Number: 41906-86-9
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CS3)C(=O)O)\C=C\C4=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C4
• InChI: 1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/b4-3+/t17-,20-/m1/s1
• InChIKey: LHNIIDJCEODSHA-OQRUQETBSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 872.0±65.0°C at 760 mmHg (Cal.)
• Flash point: 481.2±34.3°C (Cal.)

References

• (1): Tingting JiangT. J. and R. L. contributed equally to the work in this paper., Rongrong Liu, Xianfeng Huang, Huajun Feng, Weiling Teo and Bengang Xing. Colorimetric screening of bacterial enzyme activity and inhibitionbased on the aggregation of gold nanoparticles, Chem. Commun., 2009, 1972.