Sodium (6R,7R)-7-[[(E)-2-(2-Amino-1,3-Thiazol-4-Yl)Pent-2-Enoyl]Amino]-3-(Carbamoyloxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 152824-70-9]

Identification

• Name: Sodium (6R,7R)-7-[[(E)-2-(2-Amino-1,3-Thiazol-4-Yl)Pent-2-Enoyl]Amino]-3-(Carbamoyloxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: Sodium (6R,7R)-7-[[(E)-2-(2-Aminothiazol-4-Yl)Pent-2-Enoyl]Amino]-3-(Carbamoyloxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[(E)-2-(2-Amino-4-Thiazolyl)-1-Oxopent-2-Enyl]Amino]-3-(Carbamoyloxymethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; Sodium (6R,7R)-7-[[(E)-2-(2-Aminothiazol-4-Yl)Pent-2-Enoyl]Amino]-3-(Carbamoyloxymethyl)-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₁₇H₁₈N₅NaO₆S₂
• Molecular Weight: 475.47
• CAS Registry Number: 152824-70-9
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(/C3=CSC(=N3)N)=C/CC)C([O-])=O)COC(=O)N.[Na+]
• InChI: 1S/C17H19N5O6S2.Na/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22;/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26);/q;+1/p-1/b8-3+;/t10-,14-;/m1./s1
• InChIKey: OSURDKALGQIVGL-FZRBRWQESA-M

Properties

• Boiling point: 936°C at 760 mmHg (Cal.)
• Flash point: 519.9°C (Cal.)