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Technical details about Ticarcillin Monosodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Ticarcillin monosodium, Ticarcillin monosodium monohydrate, 74682-62-5, Ticarcillin monosodium (usp), Chembl3989647, D06138
Molecular Formula
C15H17N2NaO7S2
Molecular Weight
424.4  g/mol
InChI Key
BVGLWBKHBMAPKY-QBGWIPKPSA-M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;(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-carboxylate;hydrate
2.1.2 InChI
InChI=1S/C15H16N2O6S2.Na.H2O/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);;1H2/q;+1;/p-1/t7-,8-,9+,12-;;/m1../s1
2.1.3 InChI Key
BVGLWBKHBMAPKY-QBGWIPKPSA-M
2.1.4 Canonical SMILES
CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)[O-])C.O.[Na+]
2.1.5 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.O.[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ticarcillin Monosodium

2. Ticarcillin Monosodium Monohydrate

3. 74682-62-5

4. Ticarcillin Monosodium (usp)

5. Chembl3989647

6. D06138

7. Q27256368

8. Sodium;(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-carboxylate;hydrate

2.3 Create Date
2008-02-08
3 Chemical and Physical Properties
Molecular Weight 424.4 g/mol
Molecular Formula C15H17N2NaO7S2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass424.03748751 g/mol
Monoisotopic Mass424.03748751 g/mol
Topological Polar Surface Area181 Ų
Heavy Atom Count27
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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