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Sulbactam-d5 (sodium)

CAT: 0804-HY-B0334ASSize: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0334ASSize:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulbactam-d5 (sodium) is the deuterium labeled Sulbactam sodium. Sulbactam (CP45899) sodium is a competitive, irreversible beta-lactamase inhibitor. Sulbactam sodium shows antimicrobial activity against multidrug-resistant (MDR) acinetobacter calcoaceticus--Acinetobacter baumannii (Acb) complex[1][2].
CAS Number
1322625-44-4
UNSPSC
12352005
Target
Antibiotic; Bacterial
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
99.90
Solubility
10 mM in DMSO|DMSO : 50mg/mL (ultrasonic) |H2O : ≥ 100mg/mL
Smiles
C(O)(=O)[C@@H]1N2[C@](S(=O)(=O)C1(C([2H])([2H])[2H])C)(C(C2=O)([2H])[2H])[H].[Na]
Molecular Formula
C8H6D5NNaO5S
Molecular Weight
260.25
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Noguchi JK, et al. Sulbactam: a beta-lactamase inhibitor. Clin Pharm. 1988;7 (1) :37-51.|[3]Lin HS, et al. Sulbactam treatment for pneumonia involving multidrug-resistant Acinetobacter calcoaceticus-Acinetobacter baumannii complex. Infect Dis (Lond) . 2015;47 (6) :370-378.|[4]Betrosian AP, et al. Ampicillin-sulbactam: an update on the use of parenteral and oral forms in bacterial infections. Expert Opin Drug Metab Toxicol. 2009;5 (9) :1099-1112.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
β-lactam

Chemical Information

Sulbactam-d5 Sodium Salt (Major)
CAS Number1322625-44-4
PubChem CID71752295
IUPAC Namesodium (2S,5R)-6,6-dideuterio-3-methyl-4,4,7-trioxo-3-(trideuteriomethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC8H10NNaO5S
Molecular Weight260.26
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity452
SMILES
[2H]C1([C@@H]2N(C1=O)[C@H](C(S2(=O)=O)(C)C([2H])([2H])[2H])C(=O)[O-])[2H].[Na+]
InChI
InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1/i1D3,3D2;/t5-,6+,8?;
InChIKey
NKZMPZCWBSWAOX-KOYHQTOCSA-M
Chemical Structure
2D Structure
2D structure of Sulbactam-d5 Sodium Salt (Major)
CAS: 1322625-44-4
CID: 71752295
Formula: C8H10NNaO5S
MW: 260.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass260.04912160
Monoisotopic Mass260.04912160
Topological Polar Surface Area103 Ų
Heavy Atom Count16
Formal Charge0
Complexity452
Isotope Atom Count5
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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