Ticarcillin

C₁₅H₁₆N₂O₆S₂CAS 34787-01-4384.42 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam Sulfide

Properties

Molecular formula: C₁₅H₁₆N₂O₆S₂
Molar mass: 384.42 g/mol
Exact mass: 384.0450 Da
logP: 1.39Crippen estimate
Polar surface area: 127.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
Stereocentres: R, R, R, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

34787-01-4

SMILES

CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O

InChIKey

OHKOGUYZJXTSFX-KZFFXBSXSA-N

InChI

InChI=1S/C15H16N2O6S2/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-[[(2R)-2-carboxy-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxy-3-thienylacetyl)amino]-3,3-dimethyl-7-oxo-, [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-, (2S,5R,6R)-
(2S,5R,6R)-6-[[(2R)-2-Carboxy-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-[D-(-)-α-Carboxy-3-thienylacetamido]penicillanic acid

Work with Ticarcillin

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.

Ticarcillin disodium29457-07-6Salt Ticillin4697-14-7Salt, stereoisomer Ticarcillin monosodium74682-62-5Salt

Similar compounds

Carbenicillin4697-36-377 % similar Ampicillin69-53-463 % similar Amoxicillin26787-78-063 % similar Ampicillin trihydrate7177-48-261 % similar (2R)-2-(4-Hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-(2R)-2-(4-hydroxyphenyl)glycinamide188112-75-660 % similar Amoxicillin trihydrate61336-70-760 % similar Temocillin66148-78-559 % similar Penicillin G61-33-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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