Compound Summary
CEFTRIAXONE SODIUM
Compound Information
CEFTRIAXONE SODIUM
Compound Name: | CEFTRIAXONE SODIUM |
Compound CID: | 23679441 |
Synonyms: | CEFTRIAXONE SODIUM ceftriaxone 74578-69-1 104376-79-6 Ro-139904 More... |
Iupac Name: | sodium;(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-carboxylate |
InChI: | InChI=1S/C18H18N8O7S3.Na/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;+1/p-1/b24-8-;/t9-,15-;/m1./s1 |
InChIKey: | YOBPSXOHCHDCMU-VKZZUTNHSA-M |
Canonical Smiles: | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+] |
Isomeric Smiles: | CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+] |
Molecular Weight: | 576.6 |
Molecular Formula: | C18H17N8NaO7S3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
CEFTRIAXONE SODIUM
Molecular Weight: | 576.6 |
Molecular Formula: | C18H17N8NaO7S3 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 37 |
Complexity: | 1120 |
Synonyms
CEFTRIAXONE SODIUM
| CEFTRIAXONE SODIUM | CEFTRIAXONE SODIUM |
|---|---|
CEFTRIAXONE SODIUM |
ceftriaxone |
74578-69-1 |
104376-79-6 |
Ro-139904 |
Ceftriaxone sodium salt |
OCTX |
CEFTRIAXONE SODIUM TRIHYDRATE |
SCHEMBL537013 |
CHEMBL1200995 |
AKOS015961150 |
AC-1851 |
Disodium;(6R,7R)-7-(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetylamino-3-(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate |
sodium (6R,7R)-7-((E)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate |
sodium;(6R,7R)-7-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetylamino-3-(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylate |
Experimental Data
CEFTRIAXONE SODIUM
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200.000000000000000 | umol/L | 44.010000000000000 | 44.100000000000000 | 0.195600000000000 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 48.860000000000000 | 47.170000000000000 | -3.450000000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 43.130000000000000 | 47.210000000000000 | 9.470000000000000 | S | MALES | 33008901 | Active | ||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 47.840000000000000 | 46.940000000000000 | -1.890000000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 28.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
CEFTRIAXONE SODIUM
Statistics Data
CEFTRIAXONE SODIUM
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 28.000000000000000 | 1 | 1 | |
| Drosophila melanogaster | 9.470000000000000 | 1 | 4 |
Statistics Data Visualization
CEFTRIAXONE SODIUM
