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Temocillin (disodium) (Standard)

CAT: 0804-HY-139597RSize: 1 EachDry Ice: NoHazardous: No
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Description
Temocillin (disodium) (Standard) is the analytical standard of Temocillin (disodium) . This product is intended for research and analytical applications. Temocillin disodium, a 6-α-methoxy penicillin, possesses antibacterial activity[1].
CAS Number
61545-06-0
Product Name Alternative
BRL 17421 (disodium) (Standard)
UNSPSC
12352005
Target
Bacterial; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/temocillin-disodium-standard.html
Smiles
O=C(C(C1=CSC=C1)C(O[Na])=O)N[C@]2([C@](SC3(C)C)([H])N([C@H]3C(O[Na])=O)C2=O)OC
Molecular Formula
C16H16N2Na2O7S2
Molecular Weight
458.42
References & Citations
[1]K Jules, et al. Antibacterial activity and beta-lactamase stability of temocillin. Antimicrob Agents Chemother. 1982 Sep;22 (3) :453-60.|[2]J F Soubirou, et al. Activity of temocillin in a murine model of urinary tract infection due to Escherichia coli producing or not producing the ESBL CTX-M-15. J Antimicrob Chemother. 2015 May;70 (5) :1466-72.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Temocillin sodium

Temocillin disodium is an organic sodium salt. It contains a temocillin(2-).

CAS Number61545-06-0
PubChem CID11583399
IUPAC Namedisodium;(2S,5R,6S)-6-[(2-carboxylato-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC16H16N2Na2O7S2
Molecular Weight458.4
Topological Polar Surface Area192
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity689
SMILES
CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)[O-])OC)C(=O)[O-])C.[Na+].[Na+]
InChI
InChI=1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2/t8?,9-,14+,16-;;/m0../s1
InChIKey
MRGCZDWBFFUEES-CWBCWDDISA-L
Chemical Structure
2D Structure
2D structure of Temocillin sodium
CAS: 61545-06-0
CID: 11583399
Formula: C16H16N2Na2O7S2
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass458.01943176
Monoisotopic Mass458.01943176
Topological Polar Surface Area192 Ų
Heavy Atom Count29
Formal Charge0
Complexity689
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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Alternative Products

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T130-10MGTemocillin Disodium
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LC-6171.1EDTA disodium salt Standard volumetric solution 0.05 M (0.05 N)
LC-6731.1EDTA disodium salt Standard volumetric solution 0.01 M (0.01 N)
LC-6987.2EDTA disodium salt Standard volumetric solution 0.2 M (0.2 N)
MBS5816342Temocillin
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