Desacetylcephapirin

(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

Also Known As: Desacetylcephapirin|Desacetyl cephapirin|Desacetylcefapirin|DEACETYLCEPHAPIRIN|DEACETYLCEFAPIRIN|Cefapirin EP Impurity B|Cefuroxime Impurity 117|Cefapirin Sodium EP Impurity B|Desacetyl Cefapirin (sodium salt)|KST-1A4914|KST-1A4915|CEFAPIRIN SODIUM IMPURITY B [EP IMPURITY]|(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|3-(Hydroxymethyl)-8-oxo-7-((2-(4-pyridylthio)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid|(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|(6r,7r)-3-(hydroxymethyl)-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(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|(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[2-(4-pyridylthio)acetylamino]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid|(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-3-(Hydroxymethyl)-8-oxo-7-{2-[(pyridin-4-yl)sulfanyl]acetamido}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(7R)-7-[[[(4-Pyridinylthio)methyl]carbonyl]amino]-3-(hydroxymethyl)cepham-3-ene-4-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)-|5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-(hydroxymethyl)-8-oxo-7-[[2-(4-pyridinylthio)acetyl]amino]-, (6R,7R)-

Molecular Formula	C15H15N3O5S2
Molecular Weight	381.04532 g/mol
LogP	-1.7
Topological Polar Surface Area	170.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	381.04532
Monoisotopic Mass	381.04532
Heavy Atoms	25
Complexity	606.0

Chemical Identifiers

CAS Number	4660-54-2
SMILES	C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO
InChIKey	IOFHZPVEQXTSQW-BXUZGUMPSA-N