Ticarcillin monosodium

C₁₅H₁₅N₂NaO₆S₂CAS 74682-62-5406.40 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam Sulfide

Properties

Molecular formula: C₁₅H₁₅N₂NaO₆S₂
Molar mass: 406.40 g/mol
Exact mass: 406.0269 Da
logP: 1.01Crippen estimate
Polar surface area: 127.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
Stereocentres: R, R, R, Sin SMILES atom order

Identifiers

CAS number

74682-62-5

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C([O-])=O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.[Na+]

InChIKey

GOPQWXUCPMVVFP-GHRKWLBTSA-N

InChI

InChI=1S/C15H16N2O6S2.Na/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

4 names

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-carboxy-2-(3-thienyl)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-[(carboxy-3-thienylacetyl)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)-carboxy-3-thienylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
D-Ticarcillin sodium salt

Work with Ticarcillin monosodium

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 disodium29457-07-686 % similar Ticillin4697-14-786 % similar Carbenicillin disodium4800-94-666 % similar Ticarcillin34787-01-459 % similar Amoxicillin sodium34642-77-857 % similar Ampicillin sodium69-52-355 % similar Sulbenicillin sodium28002-18-853 % similar Azlocillin sodium37091-65-949 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook