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Avibactam Sodium Salt

CAT: 0572-TRC-A794850-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A794850-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1192491-61-4
Synonyms
Sulfuric acid, mono[(1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] ester, sodium salt (1:1); Sulfuric acid mono[(1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] ester monosodium salt; (1R,2S,5R)-7-Oxo-6-sulfooxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide sodium salt; Avibactam sodium; Avibactam sodium salt
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Purity
>95% (HPLC)
Smiles
[Na+].NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-]
Molecular Formula
C7 H10 N3 O6 S . Na
Molecular Weight
287.23
InChI
InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
Additionnal Information
IUPAC name: sodium;[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Avibactam Sodium

Avibactam sodium is an organic sodium salt that is the monosodium salt of avibactam. Used in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis. It has a role as an antimicrobial agent, an EC 3.5.2.6 (beta-lactamase) inhibitor and an antibacterial drug. It contains an avibactam(1-).

CAS Number1192491-61-4
PubChem CID24944097
IUPAC Namesodium [(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
Molecular FormulaC7H10N3NaO6S
Molecular Weight287.23
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity462
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
InChI
InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
InChIKey
RTCIKUMODPANKX-JBUOLDKXSA-M
Chemical Structure
2D Structure
2D structure of Avibactam Sodium
CAS: 1192491-61-4
CID: 24944097
Formula: C7H10N3NaO6S
MW: 287.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.23
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass287.01880050
Monoisotopic Mass287.01880050
Topological Polar Surface Area141 Ų
Heavy Atom Count18
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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