Ticarcillin Disodium
Basic information
- CAS
29457-07-6- Standard 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+].[Na+]- InChIKey
ZBBCUBMBMZNEME-QBGWIPKPSA-L- Molecular formula
- C15H14N2Na2O6S2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.00886708
Overview
Ticarcillin disodium is an organic sodium salt. It contains a ticarcillin(2-).
Names & identifiers
- Preferred name
- Ticarcillin Disodium
- IUPAC
- disodium;(2S,5R,6R)-6-[[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- English name
- TICARCILLIN DISODIUM SALT
- Molecular formula
- C15H17N2NaO6S2
- Molecular weight
- 408.42
Names & synonyms
ticarcillin sodium29457-07-6TICARCILLIN DISODIUMTicarpenTicarcillin disodium saltMonapenAerugipenDisodium TicarcillinTicillinBRL 2288G8TVV6DSYGBRL-2288
Show more names
TICARAB 2288TicarpeninTicarpen hydrateAerugipen hydrateAB 2288， BRL 2288
NSC-759166CHEBI:35017N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid disodium saltDTXCID2032394N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-3-thiophenemalonamic acid disodium saltRefChem:57089249-642-5DTXSID8045561
Database identifiers
- CAS
29457-07-6、34787-01-4- PubChem CID
- 470375
- DTXSID
DTXSID60951968- ChEMBL
CHEMBL1200855- ChEBI
CHEBI:35017- UNII
- G8TVV6DSYG
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 628
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section190.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 18.8 mg/mL · ≥ 18.8mg/mL in DMSO
- form
- Solid
- color
- White to off-white
- InChIKey
- DGWNOYXVFHEHET-ZAZMWLMTNA-N
- SMILES
- N([C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H])C(=O)[C@@H](C1=CSC=C1)C(=O)O.[NaH] |&1:1,5,13,17,r|
- CAS DataBase Reference
- 29457 · 29457-07-6
- FDA UNII
- 8 TVV6DSYG · G8TVV6DSYG
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Uses & manufacturing
UsesUse (kg) in USA (2002): 14700
Applications
UsesTICARCILLIN DISODIUM SALT, a carboxypenicillin belonging to the beta-lactam class of antibiotics. Ticarcillin is an injectable antibiotic used in the treatment of infections caused by gram-negative bacteria, particularly Pseudomonas aeruginosa.
Additional notes
DefinitionChEBI: Ticarcillin disodium is an organic sodium salt. It contains a ticarcillin(2-).
Suppliers
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Compound notes
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