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SK&F 88070 , CAS No.80994-53-2
Basic Description
Synonyms
Skf 88070 | 80994-53-2 | SK&F 88070 | CID 9571087 | SK&F-88070 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 7-((2-Ami
Specifications & Purity
Moligand™
Grade
Moligand™
Taxonomic Classification
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 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines Sulfuric acid monoamides 2-amino-1,3-thiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Sulfuric acid monoamide - 1,3-thiazol-2-amine - Organic sulfuric acid or derivatives - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Azetidine - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organooxygen 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
INCHI
InChI=1S/C17H20N10O8S4/c1-35-23-9(8-6-37-16(18)20-8)12(28)21-10-13(29)27-11(15(30)31)7(4-36-14(10)27)5-38-17-22-24-25-26(17)3-2-19-39(32,33)34/h6,10,14,19H,2-5H2,1H3,(H2,18,20)(H,21,28)(H,30,31)(H,32,33,34)/b23-9-/t10-,14-/m1/s1
InChIKey
ARWJIPOQKKRGCN-UPRLUYEASA-N
Smiles
CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CCNS(=O)(=O)O
Isomeric SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCNS(=O)(=O)O)C(=O)O
PubChem CID
9571087
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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