Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(\c1cnc(s1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cc(C)nc2n1nc(n2)C(=O)O |
|---|---|
| IUPAC Name | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-[(S)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-3-[(2-carboxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | PBJHSJKHPMHQSC-XIMWIQTNSA-N |
| INCHI | 1S/C28H23N9O11S3/c1-9-4-15(37-28(31-9)33-20(34-37)26(46)47)49-7-11-8-50-23-17(22(41)36(23)18(11)24(42)43)32-21(40)16(14-6-30-27(29)51-14)35-48-19(25(44)45)10-2-3-12(38)13(39)5-10/h2-6,17,19,23,38-39H,7-8H2,1H3,(H2,29,30)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-16+/t17-,19+,23-/m1/s1 |
| Isomeric SMILES | CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N/O[C@@H](C5=CC(=C(C=C5)O)O)C(=O)O)/C6=CN=C(S6)N)SC3)C(=O)O)C(=O)O |
| PubChem CID | 9577433 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems |
| Direct Parent | Cephalosporins |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Triazolopyrimidines Catechols Alkylarylthioethers 2,5-disubstituted thiazoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Benzene and substituted derivatives Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Triazoles Tertiary carboxylic acid amides Amino acids Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Triazolopyrimidine - Aryl thioether - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - 2,5-disubstituted 1,3-thiazole - Phenol - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Benzenoid - Meta-thiazine - Monocyclic benzene moiety - Pyrimidine - Triazole - 1,2,4-triazole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. |
| External Descriptors | Not available |
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