Compound Identification
SMILES
OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N12)SC1=C(Br)C=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=LAJMOXJPCBSVGT-ZEQKJWHPSA-N
Formula
C27H21BrN2O4S2
Mass
581.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
Brominated biphenyls N-acyl-alpha amino acids and derivatives Phenylacetamides Aryl thioethers Bromobenzenes 1,3-thiazines Aryl bromides Vinylogous thioesters Tertiary carboxylic acid amides Secondary carboxylic acid amides Thioenol ethers Azetidines Sulfenyl compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Brominated biphenyl - Biphenyl - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - Halobenzene - Bromobenzene - Meta-thiazine - Aryl bromide - Aryl halide - Vinylogous thioester - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thioenolether - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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