Compound Summary
Compound Information
CEFTRIAXONE SODIUM
Compound Name: | CEFTRIAXONE SODIUM |
Compound CID: | 59844 |
Synonyms: | CEFTRIAXONE SODIUM Ceftriaxone Disodium Salt 104376-79-6 sodium (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-methyl-6-oxido-5-oxo-2,5-dihydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate More... |
Iupac Name: | disodium;(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
InChI: | InChI=1S/C18H18N8O7S3.2Na/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);;/q;2*+1/p-2/t9-,15-;;/m1../s1 |
InChIKey: | FDRNWTJTHBSPMW-JQVQFYFGSA-L |
Canonical Smiles: | CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+].[Na+] |
Isomeric Smiles: | CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+].[Na+] |
Molecular Weight: | 598.6 |
Molecular Formula: | C18H16N8Na2O7S3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CEFTRIAXONE SODIUM
Molecular Weight: | 598.6 |
Molecular Formula: | C18H16N8Na2O7S3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 14 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 38 |
Complexity: | 1120 |
Synonyms
CEFTRIAXONE SODIUM
| CEFTRIAXONE SODIUM | CEFTRIAXONE SODIUM |
|---|---|
CEFTRIAXONE SODIUM |
Ceftriaxone Disodium Salt |
104376-79-6 |
sodium (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-methyl-6-oxido-5-oxo-2,5-dihydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate |
Experimental Data
CEFTRIAXONE SODIUM
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 43.13 | 47.21 | 9.47 | S | MALES | 33008901 | Active | ||||
| Drosophila melanogaster | 20 | umol/L | 47.84 | 46.94 | -1.89 | NS | FEMALES | 33008901 | Inactive |
Experimental Data Visualization
CEFTRIAXONE SODIUM
Statistics Data
CEFTRIAXONE SODIUM
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 9.47 | 1 | 2 |
Statistics Data Visualization
CEFTRIAXONE SODIUM
