ceftriaxone

Ligand id: 5326

Name: ceftriaxone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 287.49
Molecular weight 555.05
XLogP -2.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1984))
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
International Nonproprietary Names
INN number INN
4923 ceftriaxone
Synonyms
Rocephin®
Database Links
CAS Registry No. 73384-59-5 (source: Scifinder)
ChEMBL Ligand CHEMBL161
DrugBank Ligand DB01212
PubChem CID 5479530
Search Google for chemical match using the InChIKey VAAUVRVFOQPIGI-SPQHTLEESA-N
Search Google for chemicals with the same backbone VAAUVRVFOQPIGI
Search PubMed clinical trials ceftriaxone
Search PubMed titles ceftriaxone
Search PubMed titles/abstracts ceftriaxone
Search UniChem for chemical match using the InChIKey VAAUVRVFOQPIGI-SPQHTLEESA-N
Search UniChem for chemicals with the same backbone VAAUVRVFOQPIGI
Wikipedia Ceftriaxone
Comments
Ceftriaxone is a cephalosporin antibiotic.