Piperacillin monohydrate

(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate

CAS: 66258-76-2

Molecular Formula	`C23H29N5O8S`
Molecular Weight	535.6 g/mol
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	535.1737
Heavy Atoms	37
Complexity	982.0

Chemical Identifiers

CAS Number	66258-76-2
SMILES	`CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.O`
InChIKey	`NBXPLBPWMYNZTC-IDYPWDAWSA-N`

📖 Product Overview

Piperacillin monohydrate (CAS: 66258-76-2) is a chemical compound with molecular formula C23H29N5O8S and molecular weight 535.6 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate. Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 6 Exact Mass 535.1737 Heavy Atoms 37 Complexity 982.0 InChI Key: NBXPLBPWMYNZTC-IDYPWDAWSA-N. SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.O.

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