| CAS Number | 1246733-29-8 |
| Catalog Number | AG01DL7W |
| Chemical Name | (2R,3R,5S)-Rel-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
| IUPAC Name | (2R,3R,5S)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| InChI | InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m0/s1 |
| InChI Key | LPQZKKCYTLCDGQ-QXFUBDJGSA-N |
| MDL Number | MFCD00867002 |
| Molecular Formula | C10H12N4O5S |
| Molecular Weight | 300.2911 |
| SMILES | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3 |
| Synonyms | CHEMBL288303,
ZINC897245,
(2R,3R,5S)-Rel-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide,
1246733-29-8,
AKOS030627482,
Tazobactam,
89786-04-9,
|
| Complexity | 573 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.289g/mol |
| Monoisotopic Mass | 300.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number