≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Sulbenicillin Sodium (Sulfocillin, Sulfobenzylpenicillin) is the sodium salt of sulbenicillin, which is a penicillin antibiotic.
| ALogP | -3.303 |
|---|---|
| HBD Count | 1 |
| Rotatable Bond | 5 |
| Pubchem Sid | 504758818 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758818 |
| Canonical Smiles | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| IUPAC Name | disodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfonatoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| InChIKey | FWRNIJIOFYDBES-HCIBPFAFSA-L |
| INCHI | 1S/C16H18N2O7S2.2Na/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2/t9-,10?,11+,14-;;/m1../s1 |
| Isomeric SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| PubChem CID | 443984 |
| Molecular Weight | 458.42 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Penicillins N-acyl-alpha amino acids and derivatives Phenylacetamides Alkanesulfonic acids Thiazolidines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic sodium salts Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Penam - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Thiazolidine - Organosulfonic acid or derivatives - Beta-lactam - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Lactam - Azacycle - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organic sodium salt - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | organic sodium salt |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2517170 | Certificate of Analysis | Oct 21, 2025 | S413273 |
| K2210039 | Certificate of Analysis | Aug 12, 2025 | S413273 |
| K2210040 | Certificate of Analysis | Aug 12, 2025 | S413273 |
| K2210067 | Certificate of Analysis | Aug 12, 2025 | S413273 |
| K2210068 | Certificate of Analysis | Aug 12, 2025 | S413273 |
| Sensitivity | Moisture sensitive |
|---|---|
| DMSO(mg / mL) Max Solubility | 91 |
| DMSO(mM) Max Solubility | 198.507918502683 |
| Water(mg / mL) Max Solubility | 91 |
| Water(mM) Max Solubility | 198.507918502683 |
| Molecular Weight | 458.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 458.019 Da |
| Monoisotopic Mass | 458.019 Da |
| Topological Polar Surface Area | 180.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 736.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
