ceftriaxone (rocephin) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

652.6

ALogP

-1.2

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O.O.O.[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC3=NC(=O)C(=NN3C)[O-])\c4csc(N)n4
  • InChIKey: XMCDZRXQAGFWAK-PMCOHIMVSA-L
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3183968   ChEMBL
ceftriaxone sodium *

CHEMBL1200995   ChEMBL
ceftriaxone sodium

CHEMBL161   ChEMBL
ceftriaxone

75J73V1629   NCATS
ceftriaxone *

Ceftriaxone   Wikipedia

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