Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
C347480-25mg
|
25mg |
3
|
$83.90
|
|
|
C347480-100mg
|
100mg |
3
|
$302.90
|
|
|
C347480-500mg
|
500mg |
3
|
$1,360.90
|
|
|
C347480-2.5g
|
2.5g |
3
|
$6,123.90
|
|
|
C347480-10g
|
10g |
3
|
$22,044.90
|
|
|
C347480-50g
|
50g |
2
|
$99,202.90
|
|
| Synonyms | D81831 | 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((((((1-methylethyl)amino)((1-methylethyl)imino)methyl)thio)acetyl)amino)-8-oxo-, (6R-trans)- | 3-Chloromethylacetophenone | (6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems - Cephalosporins |
| Direct Parent | Cephalosporin 3'-esters |
| Alternative Parents | N-acyl-alpha amino acids and derivatives 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Isothioureas Azetidines Carboxylic acid esters Thiohemiaminal derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Carboximidamide - Hemithioaminal - Thioether - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 504767982 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767982 |
| IUPAC Name | (6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| INCHI | InChI=1S/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)/t14-,17-/m1/s1 |
| InChIKey | JYXACOFERDBGGQ-RHSMWYFYSA-N |
| Smiles | CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O |
| Isomeric SMILES | CC(C)NC(=NC(C)C)SCC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O |
| Molecular Weight | 472.58 |
| Reaxy-Rn | 21460017 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21460017&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 21, 2022 | C347480 | |
| Certificate of Analysis | Jul 21, 2022 | C347480 | |
| Certificate of Analysis | Jul 21, 2022 | C347480 | |
| Certificate of Analysis | Jul 21, 2022 | C347480 | |
| Certificate of Analysis | Jul 21, 2022 | C347480 | |
| Certificate of Analysis | Jul 21, 2022 | C347480 |
| Melt Point(°C) | 164-170° C |
|---|---|
| Molecular Weight | 472.600 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 472.145 Da |
| Monoisotopic Mass | 472.145 Da |
| Topological Polar Surface Area | 188.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 811.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |