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)

C₁₆H₂₀N₃NaO₆SCAS 68728-47-2405.40 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Phenol Primary amine Secondary amine Sulfide

Properties

Molecular formula: C₁₆H₂₀N₃NaO₆S
Molar mass: 405.40 g/mol
Exact mass: 405.0971 Da
logP: -4.47Crippen estimate
Polar surface area: 164.8 Å²
H-bond donors / acceptors: 5 / 8
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68728-47-2

SMILES

CC1(C(NC(S1)C(C(=O)O)NC(=O)C(C2=CC=C(C=C2)O)N)C(=O)[O-])C.[Na+]

InChIKey

OWFQIGGKWCUTRP-UHFFFAOYSA-M

InChI

InChI=1S/C16H21N3O6S.Na/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);/q;+1/p-1

Weigh it out

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

Work with 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)

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 sodium34642-77-861 % similar Ampicillin sodium69-52-348 % similar Amoxicillin piperazine-2,5-dione94659-47-944 % similar Amoxicillin dimer73590-06-444 % similar Ticarcillin monosodium74682-62-540 % similar Amoxicillin26787-78-040 % similar D-P-Hydroxyphenylglycine22818-40-239 % similar Oxfenicine32462-30-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook