Compound Identification
SMILES
[Na+].CO\N=C(\C(=O)NC1[C@H]2SCC(CSc3nnnn3CC(=O)N3CCN(CC3)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C3CC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1
InChIKey
InChIKey=NIEACKUQLYUWNX-PGFOLYEYSA-M
Formula
C34H32FN12NaO9S3
Mass
890.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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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 Quinoline carboxylic acids Fluoroquinolones N-arylpiperazines Haloquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines 2,4-disubstituted thiazoles Alkylarylthioethers Benzenoids Dicarboxylic acids and derivatives Aryl fluorides 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tetrazoles Vinylogous amides Azetidines Secondary carboxylic acid amides Carboxylic acid salts Amino acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Organic metal halides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organofluorides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Quinoline-3-carboxylic acid - Fluoroquinolone - N-arylpiperazine - Haloquinoline - Aminoquinoline - Dihydroquinolone - Alpha-amino acid or derivatives - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl thioether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Aryl fluoride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Meta-thiazine - Piperazine - Pyridine - 1,3-thiazol-2-amine - Benzenoid - Tertiary carboxylic acid amide - Thiazole - Vinylogous amide - Tetrazole - Azole - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Amino acid or derivatives - Organic alkali metal salt - Azacycle - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Organic metal halide - Hemithioaminal - Thioether - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Primary amine - Organic salt - Carbonyl group - Organic sodium salt - Organic zwitterion - Organooxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - 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