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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Desacetylcephapirin , CAS No.38115-21-8
Synonyms
Desacetylcephapirin|Desacetyl cephapirin|(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|Desacetyl Cefapirin (sodium salt)|DEACETYLCEFAPIRIN|DEACETYLCEPHAPIRIN|3-(Hydroxymethyl)-8-oxo-7-((2-(4-pyridylthio)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid|CEFAPIRIN SODIUM IMPURITY B [EP IMPURITY]|(6R,7R)-3-(HYDROXYMETHYL)-8-OXO-7-((((PYRIDIN-4-YL)SULFANYL)ACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(((4-pyridinylthio)acetyl)amino)-, (6R-trans)-|5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(HYDROXYMETHYL)-8-OXO-7-((2-(4-PYRIDINYLTHIO)ACETYL)AMINO)-, (6R,7R)-
Specifiche Sinonimi
Desacetylcephapirin | Desacetyl cephapirin | (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-(2-(pyridin-4-ylthio)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | Desacetyl Cefapirin (sodium salt) | DEACETYLCEFAPIRIN | DEACETYLCEPHAPIRIN | 3-(Hydroxymethyl)-8-oxo-7-((2-(4-pyridylthio)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-c Mostra altro
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto Nomi e identificatori Sorrisi canonici
C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO
IUPAC Name
(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey
IOFHZPVEQXTSQW-BXUZGUMPSA-N
INCHI
1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1
Isomeri SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36851944&ln=
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Classe Lactams Subclass Beta lactams Intermediate Tree Nodes Cephems Direct Parent Cephalosporins Alternative Parents N-acyl-alpha amino acids and derivatives Alkylarylthioethers Pyridines and derivatives 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds 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 - Aryl thioether - Alkylarylthioether - Pyridine - Meta-thiazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound Descrizione 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.
Struttura 3D Obiettivi associati (umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 381.400 g/mol XLogP3 -1.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 6 Exact Mass 381.045 Da Monoisotopic Mass 381.045 Da Topological Polar Surface Area 170.000 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 606.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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