cephaloridine

(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS: 50-59-9

Molecular Formula	`C19H17N3O4S2`
Molecular Weight	415.5 g/mol
LogP	1.9
Topological Polar Surface Area	147.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	415.06604
Heavy Atoms	28
Complexity	687.0

Chemical Identifiers

CAS Number	50-59-9
SMILES	`C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4`
InChIKey	`CZTQZXZIADLWOZ-CRAIPNDOSA-N`

📖 Product Overview

cephaloridine (CAS: 50-59-9) is a chemical compound with molecular formula C19H17N3O4S2 and molecular weight 415.5 g/mol. Its IUPAC systematic name is (6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. LogP 1.9 Topological Polar Surface Area 147.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 415.06604 Heavy Atoms 28 Complexity 687.0 InChI Key: CZTQZXZIADLWOZ-CRAIPNDOSA-N. SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4.

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