Amoxicillin piperazine-2,5-dione

C₁₆H₁₉N₃O₅SCAS 94659-47-9365.40 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Secondary amine Sulfide

Properties

Molecular formula: C₁₆H₁₉N₃O₅S
Molar mass: 365.40 g/mol
Exact mass: 365.1045 Da
logP: 1.62Crippen estimate
Polar surface area: 134.7 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

94659-47-9

SMILES

CC1(C)SC(C2N=C(O)C(c3ccc(O)cc3)N=C2O)NC1C(=O)O

InChIKey

IIZCCQJEPBWGJU-UHFFFAOYSA-N

InChI

InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-14(25-16)10-13(22)17-9(12(21)18-10)7-3-5-8(20)6-4-7/h3-6,9-11,14,19-20H,1-2H3,(H,17,22)(H,18,21)(H,23,24)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

4-Thiazolidinecarboxylic acid, 2-[5-(4-hydroxyphenyl)-3,6-dioxo-2-piperazinyl]-5,5-dimethyl-
2-[5-(4-Hydroxyphenyl)-3,6-dioxo-2-piperazinyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
2,5-Amoxipiperazinedione

Work with Amoxicillin piperazine-2,5-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Amoxicillin dimer73590-06-469 % similar (2R)-2-(4-Hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-(2R)-2-(4-hydroxyphenyl)glycinamide188112-75-653 % similar Aspoxicillin63358-49-647 % similar Amoxicillin related compound D (50 mg) ((4S)-2-{[(R)-2-amino-2-(4-hydroxyphenyl)acetamido](carboxy)methyl}-5,5-dimethylthiazolidine-4-carboxylic acid, monosodium salt)68728-47-244 % similar Amoxicillin trihydrate61336-70-744 % similar N-Boc-4-Hydroxyphenyl-DL-glycine53249-34-642 % similar Carbenicillin4697-36-339 % similar 5-(4-Hydroxyphenyl)imidazolidine-2,4-dione2420-17-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cephalexin monohydrate23325-78-2 Amoxicillin26787-78-0 Biotinyl-4-nitrophenyl ester33755-53-2 Cefroxadine51762-05-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook