Ceftriaxone

Chemical Information
Ceftriaxone is a third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. It has a role as an EC 3.5.2.6 (beta-lactamase) inhibitor, an antibacterial drug and a drug allergen. It is a cephalosporin, an oxime O-ether, a member of 1,3-thiazoles and a member of 1,2,4-triazines. It is a conjugate acid of a ceftriaxone(1-).
| CAS Number | 73384-59-5 |
| PubChem CID | 5479530 |
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Formula | C18H18N8O7S3 |
| Molecular Weight | 554.6 |
| XLogP | -1.3 |
| Topological Polar Surface Area | 288 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1110 |
| Property | Value |
|---|---|
| Molecular Weight | 554.6 |
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 554.04605846 |
| Monoisotopic Mass | 554.04605846 |
| Topological Polar Surface Area | 288 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1110 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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