Account (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
- Catalog No. :
- ACWNNZ479
- CAS No. :
- 113826-44-1
- Molecular Formula :
- C25H31N9O10S2
- Molecular Weight :
- 681.71
IUPAC Name:(6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
![(6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate |
|---|---|
| IUPAC Name | (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate |
| Molecular Formula | C25H31N9O10S2 |
| Molecular Weight | 681.71 |
| SMILES | CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSC4=NN=NN4C)CS[C@H]23)C2=CC=C(O)C=C2)C(=O)C1=O.O.O |
| InChI Key | OMYIZCZQILAOGB-BYLXUVCXSA-N |
| Synonym | Cefoperazone dihydrate;Cefoperazone Dihydrate (10mM in DMSO);Cefoperazone Dihydrate (1097705);Cefoperazone impurity 16 （dihydrate）;Obeticholic Acid Impurity 53 |
| CAS No. | 113826-44-1 |
Synthetic Route by SureRoute
2. ACWNNZ479 Molecular Building Block Synthetic Route
sodium (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-7-((R)-2-(4-hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-3-(((2H-1,2,3-triazol-4-yl)thio)methyl)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid