AC1MJ3Z2
sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: EINECS 261-765-6|sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|Sodium (2S-(2alpha,5alpha,6beta(S*)))-6-((aminocyclohexa-1,4-dien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
CAS: 59446-81-0
| Molecular Formula | C16H21N3NaO4S+ |
|---|---|
| Molecular Weight | 374.11505 g/mol |
| LogP | -2.7742 |
| Topological Polar Surface Area | 112.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.11505 |
| Monoisotopic Mass | 374.11505 |
| Heavy Atoms | 25 |
| Complexity | 663.76526 |
Chemical Identifiers
| CAS Number | 59446-81-0 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C.[Na+] |
Product Overview
AC1MJ3Z2 (CAS 59446-81-0), with molecular formula C16H21N3NaO4S+ and molecular weight 374.11505 g/mol. IUPAC: sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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