Cefazolin
Cefazolin Structure
Systematic / IUPAC Name: (6R,7R)-3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
ID: Reference1584
Other Names:
Cefamezin;
Cephamezine;
(6R,7R)-3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-{[(1H-tetrazol-1-yl)acetyl]amino}-, (6R-trans-)- ;
7-[1-(1H-)-Tetrazolylacetamido]-3-[2-(5-methyl-1,3,4-thiadiazolyl)thiomethyl]δ3-cephem-4-carboxylic acid
; more
Formula: C14H14N8O4S3
Class: Therapeutics/Prescription Drugs Pesticides/Herbicides
Spectral Data
Cefazolin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 4 |
| No. of Spectra | 284 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/31/2020 2:29:42 PM |
Identificators
| InChI | InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 |
| InChI Key | MLYYVTUWGNIJIB-BXKDBHETSA-N |
| Canonical SMILES | CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O |
| CAS | 25953199 |
| Splash | |
| Other Names |
Cefamezin; Cephamezine; (6R,7R)-3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-[2-(1H-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-8-oxo-7-{[(1H-tetrazol-1-yl)acetyl]amino}-, (6R-trans-)- ; 7-[1-(1H-)-Tetrazolylacetamido]-3-[2-(5-methyl-1,3,4-thiadiazolyl)thiomethyl]δ3-cephem-4-carboxylic acid ; Cephazolidin; Cephazolin; Cephazoline |
In Other Databases
| Wikipedia | Cefazolin |
| ChemSpider | 30723 |
| ChEBI | CHEBI:474053 |
| ChEMBL | CHEMBL1435 |
| ChemIDPlus | 025953199 |
| KEGG | D00905; D02299; C06880 |
| HMDb | HMDB15422 |
| PubChem | 33255 |