Miraxid
[CAS# 98445-47-7]

Identification

• Name: Miraxid
• Synonyms: 2,2-Dimethylpropanoyloxymethyl (2S,5R,6R)-6-[(2-Amino-2-Phenyl-Acetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; 2,2-Dimethylpropanoyloxymethyl (2S,5R,6R)-6-(Azepan-1-Ylmethyleneamino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo
• Molecular Formula: C₄₃H₆₂N₆O₁₁S₂
• Molecular Weight: 903.12
• CAS Registry Number: 98445-47-7
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(OCOC(=O)C(C)(C)C)=O)(C)C.[C@H]45SC([C@@H](N4C(=O)[C@H]5N=CN6CCCCCC6)C(OCOC(=O)C(C)(C)C)=O)(C)C
• InChI: 1S/C22H29N3O6S.C21H33N3O5S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12;1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26);1
• InChIKey: OWPUISNKTHIHSM-HJRDKPTPSA-N

Properties

• Boiling point: 679°C at 760 mmHg (Cal.)
• Flash point: 364.5°C (Cal.)