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Durlobactam sodium 100mg

CAT: 0628-A13801-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13801-100Size:100 mg
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CAS Number
1467157-21-6

Chemical Information

Durlobactam Sodium

Durlobactam sodium is an organic sodium salt that is the monosodium salt of durlobactam. It has a role as an EC 3.5.2.6 (beta-lactamase) inhibitor and an antibacterial drug. It contains a durlobactam(1-).

CAS Number1467157-21-6
PubChem CID89851851
IUPAC Namesodium [(2S,5R)-2-carbamoyl-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl] sulfate
Molecular FormulaC8H10N3NaO6S
Molecular Weight299.24
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity541
SMILES
CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1
InChIKey
WHHNOICWPZIYKI-IBTYICNHSA-M
Chemical Structure
2D Structure
2D structure of Durlobactam Sodium
CAS: 1467157-21-6
CID: 89851851
Formula: C8H10N3NaO6S
MW: 299.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.24
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass299.01880050
Monoisotopic Mass299.01880050
Topological Polar Surface Area141 Ų
Heavy Atom Count19
Formal Charge0
Complexity541
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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