Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(COC(=O)C2=C(CBr)CS[C@@H]3C(NC(=O)CC4=CC=CS4)C(=O)N23)C=C1
InChIKey
InChIKey=MAEHDHRBWISZCE-UUSAFJCLSA-N
Formula
C21H18BrN3O6S2
Mass
552.41
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
N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds 1,3-thiazines Thiophenes Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organobromides Alkyl bromides Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Dialkylthioether - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic zwitterion - Organic oxygen compound - Organic salt - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl bromide - 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