chempirical

Amoxicillin sodium

C16H18N3NaO5SCAS 34642-77-8387.39 g/mol

Open in Covalent MOL file
SNHONH2OHONO−ONa+
AmideCarboxylic acidLactamPhenolPrimary amineSulfide

Properties

Molecular formula
C16H18N3NaO5S
Molar mass
387.39 g/mol
Exact mass
387.0865 Da
logP
0.48Crippen estimate
Polar surface area
136.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
34642-77-8
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C([O-])=O.[Na+]
InChIKey
MAOIJBVJXINZLX-YWUHCJSESA-N
InChI
InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/t9-,10-,11+,14-;/m1./s1

Weigh it out

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

Names and synonyms

11 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, sodium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-amino-2-(p-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-, monosodium salt, (-)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
  • Na-6-[D(-)-α-Amino-p-hydroxyphenylacetamido]penicillanic acid
  • Sodium α-amino-p-hydroxybenzylpenicillin
  • Sodium amoxycillin
  • Sodium amoxicillin
  • Amoxycillin sodium salt
  • Amoxycillin sodium
  • BRL 2333AB-B

Work with Amoxicillin sodium

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

Ampicillin sodium69-52-382 % similar Carbenicillin disodium4800-94-665 % similar Ticarcillin disodium29457-07-661 % similar Ticillin4697-14-761 % similar Sulbenicillin sodium28002-18-861 % similar Ticarcillin monosodium74682-62-557 % similar Penicillin G sodium69-57-856 % similar Azlocillin sodium37091-65-955 % similar

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

Elsewhere

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