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Ticarcillin disodium salt

CAT: 0862-GA1874-500mgSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0862-GA1874-500mgSize:500 mg
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CAS Number
4697-14-7
MDL Number
MFCD07787410
HS Code
29411000
Purity
95.00%
Molecular Formula
C15H14N2Na2O6S2
Molecular Weight
428.39
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Ticarcillin disodium (USAN:USP)
CAS Number4697-14-7
PubChem CID656842
IUPAC Namedisodium;(2S,5R,6R)-6-[(2-carboxylato-2-thiophen-3-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC15H14N2Na2O6S2
Molecular Weight428.4
Topological Polar Surface Area183
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity628
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
InChI
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
InChIKey
ZBBCUBMBMZNEME-UBXQQCHXSA-L
Chemical Structure
2D Structure
2D structure of Ticarcillin disodium (USAN:USP)
CAS: 4697-14-7
CID: 656842
Formula: C15H14N2Na2O6S2
MW: 428.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass428.00886708
Monoisotopic Mass428.00886708
Topological Polar Surface Area183 Ų
Heavy Atom Count27
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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