Back to Search
Molecule
Cefuzonam
CAS: 82219-78-1 · C16H15N7O5S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 82219-78-1
- Molecular Formula
- C16H15N7O5S4
- Molecular Mass
- 513.61 g/mol
Identifiers
CAS Registry Number
82219-78-1
SMILES
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3cnns3)CS[C@H]12)c1csc(=N)[nH]1
InChI Key
CXHKZHZLDMQGFF-ZSDSSEDPSA-N
InChI
InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27)/b21-9-/t10-,14-/m1/s1
Names and Synonyms
- Cefuzonam Synonym
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, (6R,7R)- Synonym
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, [6R-[6α,7β(Z)]]- Synonym
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, (6R,7R)- Synonym
- 1,2,3-Thiadiazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid deriv. Synonym
- (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Synonym
- CL 251931 Synonym
- Cefuzoname Synonym
- L 105 Synonym
- Cefuzonam Synonym
- L 105 (cephem antibiotic) Synonym
- Antibiotic L-105 Synonym
- 7β-[2-(2-Aminothiazol-4-yl-(Z)-2-(methoxyimino)acetamido]-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-3-cephem-4-carboxylic acid Synonym
- CL 118523 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 513.61 g/mol | CAS Common Chemistry |
| 513.6080000000001 g/mol | RDKit | |
| 513.608 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=C(CSC=2SN=NC2)CSC3N1C(=O)C3NC(=O)C(=NOC)C=4N=C(SC4)N | CAS Common Chemistry |
| InChI | InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27)/b21-9-/t10-,14-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CXHKZHZLDMQGFF-ZSDSSEDPSA-N | CAS Common Chemistry |
| Name | Cefuzonam | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 177.20999999999998 Ų | RDKit |
| 177.21 Ų | RDKit | |
| LogP | 1.1288699999999998 | RDKit |
| 1.1289 | RDKit | |
| Molar Refractivity | 120.30900000000001 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3125 | RDKit |
| Exact Mass | 513.0017505800001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 513.61 g/mol. Edit any field — others recompute live.
