CEFTRIAXONE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 023Z5BR09K
EPA CompTox DTXSID5045887
Parent Compound: CEFTRIAXONE

Structure

InChI Key XMCDZRXQAGFWAK-PMCOHIMVSA-L
Smiles CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[Na+].[Na+]
InChI
InChI=1S/C18H18N8O7S3.2Na.3H2O/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;3*1H2/q;2*+1;;;/p-2/b24-8-;;;;;/t9-,15-;;;;;/m1...../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N8Na2O10S3
Molecular Weight 652.6
AlogP -1.2
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 215.22
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed DailyMed Wikipedia

Cross References

Resources Reference
ChEMBL CHEMBL3183968
FDA SRS 023Z5BR09K
PubChem 71307090
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