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Ticarcillin free base

CAT: 0013-GTR19202456-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202456-02Size:100 mg
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Description
Ticarcillin disodium is a semisynthetic penicillin-derived antibiotic with a spectrum of activity similar to carbenicillin. It is used in research for studying β-lactam antibiotics, particularly in in vitro susceptibility assays and in vivo models of Pseudomonas aeruginosa and other Gram-negative bacterial infections.
CAS Number
34787-01-4
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
N (C ([C@H] (C (O) =O) C=1C=CSC1) =O) [C@H]2[C@@]3 (N ([C@@H] (C (O) =O) C (C) (C) S3) C2=O) [H]
Molecular Formula
C15H16N2O6S2
Molecular Weight
384.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ticarcillin

Ticarcillin is a penicillin compound having a 6beta-[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino side-group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a ticarcillin(2-).

CAS Number34787-01-4
PubChem CID36921
IUPAC Name(2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC15H16N2O6S2
Molecular Weight384.4
XLogP0.8
Topological Polar Surface Area178
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity640
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C
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
InChIKey
OHKOGUYZJXTSFX-KZFFXBSXSA-N
Chemical Structure
2D Structure
2D structure of Ticarcillin
CAS: 34787-01-4
CID: 36921
Formula: C15H16N2O6S2
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass384.04497858
Monoisotopic Mass384.04497858
Topological Polar Surface Area178 Ų
Heavy Atom Count25
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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