chempirical

Ticillin

C15H14N2Na2O6S2CAS 4697-14-7428.38 g/mol

Open in Covalent MOL file
SNHOO−OSONO−ONa+Na+
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C15H14N2Na2O6S2
Molar mass
428.38 g/mol
Exact mass
428.0089 Da
logP
0.63Crippen estimate
Polar surface area
127.5 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
4697-14-7
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)c3ccsc3)C(=O)N2[C@H]1C([O-])=O.[Na+].[Na+]
InChIKey
IPRJTUDVZGEREZ-UBXQQCHXSA-N
InChI
InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/t7?,8-,9+,12-;;/m1../s1

Weigh it out

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

Names and synonyms

5 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-, sodium salt (1:2), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxy-3-thienylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt, [2S-(2α,5α,6β)]-
  • 3-Thiophenemalonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-, disodium salt
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxy-3-thienylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt, (2S,5R,6R)-
  • Aerugipen

Work with Ticillin

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

Ticarcillin monosodium74682-62-586 % similar Carbenicillin disodium4800-94-677 % similar Ampicillin sodium69-52-364 % similar Sulbenicillin sodium28002-18-861 % similar Amoxicillin sodium34642-77-861 % similar Penicillin G sodium69-57-857 % similar Azlocillin sodium37091-65-956 % similar Methicillin sodium132-92-354 % similar

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

Same formula

Ticarcillin disodium29457-07-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook