Ticarcillin disodium salt - USP , CAS No.4697-14-7

CAS: 4697-14-7 Cat. No.: T778061 Molecular Weight: 428.4 EC Number: 628-059-3

GRADE & PURITY USP

Synonyms

Disodium (2S-(2alpha,5alpha,6beta(S*)))-6-(carboxylato-3-thienylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate | BRL 2288 | TICARCILLIN DISODIUM (USP MONOGRAPH) | Ticarcillin disodium (USP) | TICARCILLIN SODIUM [EP MONOGRAPH

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Ticarcillin is a semisynthetic antibiotic with a broad spectrum of bactericidal activity against many gram-positive and gram-negative aerobic and anaerobic bacteria.

Specifications

Synonyms

Disodium (2S-(2alpha, 5alpha, 6beta(S*)))-6-(carboxylato-3-thienylacetamido)-3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate | BRL 2288 | TICARCILLIN DISODIUM (USP MONOGRAPH) | Ticarcillin disodium (USP) | TICARCILLIN SODIUM [EP MONOGRAPH

Specifications & Purity

USP

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

USP

Names and Identifiers

• Pubchem Sid: 528772054
• Canonical Smiles: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
• IUPAC Name: 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
• InChIKey: ZBBCUBMBMZNEME-QBGWIPKPSA-L
• 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);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1
• Isomeric 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.[Na+].[Na+]
• Alternate CAS: 29457-07-6；34787-01-4
• Molecular Weight: 428.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Penicillins N-acyl-alpha amino acids and derivatives 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Thiophenes Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Penam - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Thiophene - Heteroaromatic compound - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Lactam - Dialkylthioether - Azacycle - Organic alkali metal salt - Hemithioaminal - Thioether - Organoheterocyclic compound - Carboxylic acid - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic sodium salt - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (291.79 mM; Need ultrasonic) ；H2O : ≥ 100 mg/mL (233.43 mM)
• Sensitivity: Moisture sensitive；Light sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 428.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 428.009 Da
• Monoisotopic Mass: 428.009 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 628.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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