Ampicillin sodium

C16H18N3NaO4SCAS 69-52-3371.39 g/mol

Open in Covalent MOL file
SNHONH2ONO−ONa+
AmideCarboxylic acidLactamPrimary amineSulfide

Properties

Molecular formula
C16H18N3NaO4S
Molar mass
371.39 g/mol
Exact mass
371.0916 Da
logP
-4.01Crippen estimate
Polar surface area
115.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
69-52-3
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C([O-])=O.[Na+]
InChIKey
KLOHDWPABZXLGI-YWUHCJSESA-M
InChI
InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1

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

Names and synonyms

32 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]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-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, monosodium salt, D-(-)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)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-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
  • Penbritin S
  • Sodium P-50
  • Sodium 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Sodium 6-[D-α-aminophenylacetamido]penicillanoate
  • Sodium ampicillin
  • Ampicillin sodium salt
  • Binotal sodium
  • Sodium D-α-aminobenzylpenicillanate
  • Sodium binotal
  • D-α-Aminobenzylpenicillin sodium salt
  • Polycillin N
  • Monosodium ampicillin
  • Ampicillin-na
  • Anhypen
  • Britapen injection
  • Sodium ampicillinate
  • Ampicin
  • Principen N
  • Omnipen N
  • Alpen N
  • Pen A/N
  • Amcill S
  • Pentrex
  • Cilleral
  • Ampi-dry 5000
  • Solampi
  • Pamecil
  • Totacillin N

Work with Ampicillin 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ampicillin trihydrate7177-48-2Hydrate Ampicillin69-53-4Free acid

Similar compounds

Amoxicillin sodium34642-77-882 % similar Carbenicillin disodium4800-94-680 % similar Sulbenicillin sodium28002-18-873 % similar Azlocillin sodium37091-65-966 % similar Penicillin G sodium69-57-866 % similar Ticarcillin disodium29457-07-664 % similar Ticillin4697-14-764 % similar Piperacillin sodium59703-84-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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