(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS: 5575-21-3

Molecular Formula	`C20H18N4O5S2`
Molecular Weight	458.5 g/mol
LogP	0.7
Topological Polar Surface Area	190.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	458.07187
Heavy Atoms	31
Complexity	806.0

Chemical Identifiers

CAS Number	5575-21-3
SMILES	`C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N`
InChIKey	`FMZXNVLFJHCSAF-DNVCBOLYSA-N`

📖 Product Overview

(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 5575-21-3) is a chemical compound with molecular formula C20H18N4O5S2 and molecular weight 458.5 g/mol. Its IUPAC systematic name is (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. LogP 0.7 Topological Polar Surface Area 190.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 458.07187 Heavy Atoms 31 Complexity 806.0 InChI Key: FMZXNVLFJHCSAF-DNVCBOLYSA-N. SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.

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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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

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