Account Sodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- Catalog No. :
- ACMHQF672
- CAS No. :
- 4800-94-6
- Molecular Formula :
- C17H16N2Na2O6S
- Molecular Weight :
- 422.37
IUPAC Name:sodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
![Sodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Sodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
|---|---|
| IUPAC Name | sodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| MDL No. | MFCD00077683 |
| Molecular Formula | C17H16N2Na2O6S |
| Molecular Weight | 422.37 |
| SMILES | O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(C(C([O-])=O)C3=CC=CC=C3)=O)N1C2=O)[O-].[Na+].[Na+] |
| InChI Key | RTYJTGSCYUUYAL-YCAHSCEMSA-L |
| Synonym | α-Carboxybenzylpenicillin disodium salt | Carbenicillin disodium salt | Disodium (2S,5R,6R)-6-(2-Carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (mixture of isomers) | 6α-[[2-(Sodiooxycarbonyl)-2-phenylace |
| CAS No. | 4800-94-6 |
| PubChem CID | 20933 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H317-H334
- Precautionary Statement(s)
- P261-P272-P280-P284-P302+P352-P304+P340-P333+P313-P342+P311-P362+P364-P501
Synthetic Route by SureRoute
2. ACMHQF672 Molecular Building Block Synthetic Route
sodium (2S,5R,6R)-6-((R)-2-carboxylato-2-(thiophen-3-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
sodium (R)-3-(((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino)-3-oxo-2-(thiophen-3-yl)propanoate
(2S,5R,6R)-6-((R)-2-carboxy-2-(thiophen-3-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid