5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylamino)acetyl]amino]-,(6R-trans)- (9CI)

Modify Date: 2025-08-27 00:14:28

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylamino)acetyl]amino]-,(6R-trans)- (9CI) structure	Common Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[(4-pyridinylamino)acetyl]amino]-,(6R-trans)- (9CI)
	CAS Number	50823-40-0	Molecular Weight	406.41300
	Density	1.54g/cm3	Boiling Point	824.2ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₈N₄O₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	452.3ºC

Name	3-(acetyloxymethyl)-8-oxo-7-[[2-(pyridin-4-ylamino)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Density	1.54g/cm3
Boiling Point	824.2ºC at 760 mmHg
Molecular Formula	C₁₇H₁₈N₄O₆S
Molecular Weight	406.41300
Flash Point	452.3ºC
Exact Mass	406.09500
PSA	163.23000
LogP	0.19700
Index of Refraction	1.671
InChIKey	KEGDXUASJIDFIU-UHFFFAOYSA-N
SMILES	CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CNc3ccncc3)C2SC1

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