Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Sonrisas canónicas | CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl |
|---|---|
| IUPAC Name | 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate;hydrochloride |
| InChIKey | LUXIJPQYUCFVAL-XRLCNELCSA-N |
| INCHI | 1S/C23H29N5O8S2.ClH.H2O/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4;;/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29);1H;1H2/b12-6-;;/t14-,18-;;/m1../s1 |
| Isómeros SMILES | CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl |
| CAS alternativo | 105889-45-0 |
| PubChem CID | 5282437 |
| Peso molecular | 604.09(as Anhydrous) |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems - Cephalosporins |
| Direct Parent | Cephalosporin 3'-carbamates |
| Alternative Parents | N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles Acylals 1,3-thiazines 2-amino-1,3-thiazoles Primary aromatic amines Dicarboxylic acids and derivatives N-acyl amines Tertiary carboxylic acid amides Carbamate esters Enoate esters Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Acetals Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Hydrochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin 3'-carbamate - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Acylal - Meta-thiazine - Primary aromatic amine - Dicarboxylic acid or derivatives - N-acyl-amine - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carbamic acid ester - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Acetal - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrochloride - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cephalosporin 3'-carbamates. These are cephalosporins that are substituted at the 3'-position by a carbamate group. |
| External Descriptors | Not available |
| Solubilidad | Solubility in water: Practically insoluble; Soluble in Methanol,Ethanol,Dimethylformamide; Insoluble in Ether |
|---|---|
| Sensibilidad | Light Sensitive,Heat Sensitive |
| Rotación específica [α] | 53° (C=1,MeOH) |
| Peso molecular | 622.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 13 |
| Exact Mass | 621.133 Da |
| Monoisotopic Mass | 621.133 Da |
| Topological Polar Surface Area | 248.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1060.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 3 |