cephaprin

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

CAS: 1205565-31-6

Molecular Formula	`C17H17N3O6S2`
Molecular Weight	423.5 g/mol
LogP	-1.1
Topological Polar Surface Area	177.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	423.05588
Heavy Atoms	28
Complexity	707.0

Chemical Identifiers

CAS Number	1205565-31-6
SMILES	`CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O`
InChIKey	`UQLLWWBDSUHNEB-UHFFFAOYSA-N`

📖 Product Overview

cephaprin (CAS: 1205565-31-6) is a chemical compound with molecular formula C17H17N3O6S2 and molecular weight 423.5 g/mol. Its IUPAC systematic name is 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -1.1 Topological Polar Surface Area 177.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 423.05588 Heavy Atoms 28 Complexity 707.0 InChI Key: UQLLWWBDSUHNEB-UHFFFAOYSA-N. SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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