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Zidebactam

CAT: 1596-AR-Z01335-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01335-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1436861-97-0
Synonyms
(1R,2S,5R) -7-oxo-2- (2- ((R) -piperidine-3-carbonyl) hydrazine-1-carbonyl) -1,6-diazabicyclo[3.2.1]octan-6-yl hydrogen sulfate
Molecular Formula
C13H21N5O7S
Molecular Weight
391.40
API Name
Zidebactam

Chemical Information

Zidebactam

Zidebactam is under investigation in clinical trial NCT02674347 (MAD Study to Evaluate the Safety, Tolerability and Pharmacokinetics of Intravenous Zidebactam in Healthy Adults).

CAS Number1436861-97-0
PubChem CID77846445
IUPAC Name[(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Molecular FormulaC13H21N5O7S
Molecular Weight391.40
XLogP-4.2
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity693
SMILES
C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O
InChI
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
InChIKey
YCZPXRQPDCXTIO-BBBLOLIVSA-N
Chemical Structure
2D Structure
2D structure of Zidebactam
CAS: 1436861-97-0
CID: 77846445
Formula: C13H21N5O7S
MW: 391.40
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.40
XLogP3-4.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass391.11616920
Monoisotopic Mass391.11616920
Topological Polar Surface Area166 Ų
Heavy Atom Count26
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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