Aztreonam lysineProduct ingredient for Aztreonam

Name
Aztreonam lysine
Drug Entry
Aztreonam

A monocyclic beta-lactam antibiotic originally isolated from Chromobacterium violaceum. It is resistant to beta-lactamases and is used in gram-negative infections, especially of the meninges, bladder, and kidneys. It may cause a superinfection with gram-positive organisms.

Accession Number
DBSALT001061
Structure
Thumb
Synonyms
Not Available
UNII
XNM7LT65NP
CAS Number
827611-49-4
Weight
Average: 581.62
Monoisotopic: 581.157382574
Chemical Formula
C19H31N7O10S2
InChI Key
KPPBAEVZLDHCOK-JHBYREIPSA-N
InChI
InChI=1S/C13H17N5O8S2.C6H14N2O2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22;7-4-2-1-3-5(8)6(9)10/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25);5H,1-4,7-8H2,(H,9,10)/b17-8-;/t5-,7-;5-/m00/s1
IUPAC Name
(2S)-2,6-diaminohexanoic acid; 2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}-2-methylpropanoic acid
SMILES
NCCCC[C@H](N)C(O)=O.C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O
ChemSpider
9379087
ChEMBL
CHEMBL3833340
Wikipedia
Aztreonam
Predicted Properties
PropertyValueSource
Water Solubility0.201 mg/mLALOGPS
logP0.01ALOGPS
logP-1.9ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)-1.9ChemAxon
pKa (Strongest Basic)4.14ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area201.58 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity92.99 m3·mol-1ChemAxon
Polarizability39.56 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon