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7 Β - Amino - 3 - [4 - Pyridyl - 2 - Thiazole Sulfur Radical ] - 3 - Cephem - 4 - Carboxylic Acid ·2hcl

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7 β - Amino - 3 - [4 - Pyridyl - 2 - Thiazole Sulfur Radical ] - 3 - Cephem - 4 - Carboxylic acid ·2HCl / CAS : 400827-64-7

Appearance white powder UN -
HS 2941905990 DG Class -
Synonyms 4-[2-[[(6R,7R)-7-Amino-2-Carboxy-8-oxo-5-thia-1-Azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-Thiazolyl]-1-Methyl-Pyridinium Chloride Monohydrochloride; 7 β - Amino - 3 - [4 - Pyridyl - 2 - Thiazole Sulfur Radical ] - 3 - Cephem; Pyridinium,4-[2-[[(6R,7R)-7-Amino-2-Carboxy-8-oxo-5-thia-1-; Azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-Thiazolyl]-1-Methyl-; ,Chloride, Hydrochloride; 4-(2-(((6R,7R)-7-Amino-2-Carboxy-8-oxo-5-thia-1-Azabicyclo[4.2.0]oct-2-en-3-yl)thio)Thiazol-4-yl)-1-Methylpyridin-1-ium Chloride Hydrochloride; (6R,7R)-7-Amino-3-[[4-(1-Methylpyridin-1-ium-4-yl)-1,3-Thiazol-2-yl]Sulfanyl]-8-oxo-5-thia-1-Azabicyclo[4.2.0]oct-2-ene-2-Carboxylic acid;Chloride;Hydrochloride; 4-(2-{[(6R,7R)-7-Amino-2-Carboxy-8-oxo-5-thia-1-Azabicyclo[4.2.0]oct-2-en-3-yl]Sulfanyl}-1,3-Thiazol-4-yl)-1-Methylpyridin-1-ium Hydrochloride Chloride; Ceftaroline Mainchain; Cefalolin Intermediate
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Properties

Summary

Formula
C16H16Cl2N4O3S3
Molecular Mass
479.42400
Exact Mass
477.97600
PSA
179.24000
Logp
-0.29050
IUPAC
(6R,7R)-7-amino-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride
SMILES
C[N+]1=CC=C(C=C1)C2=CSC(=N2)SC3=C(N4[CH]([CH](C4=O)N)SC3)C(=O)O.Cl.[Cl-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Appearance
white powder

Export information

HS Code
2941905990
Export Rebate
13%

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