Products for Research Use Only

(E) -Aztreonam

CAT: 0013-GTR19192582-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192582-01Size:1 mg
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Description
SQ-28429
CAS Number
99341-02-3
Product Name Alternative
Aztreonam E-isomer, SQ28429, SQ-28429, SQ 28429
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.88% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (7.58 mM) ; DMSO:≥ 80 mg/mL
Smiles
N (C (/C (=N/OC (C (O) =O) (C) C) /C1=CSC (N) =N1) =O) [C@H]2[C@H] (C) N (S (=O) (=O) O) C2=O
Molecular Formula
C13H17N5O8S2
Molecular Weight
435.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SQ-28429

2-[[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid is a monobactam.

CAS Number99341-02-3
PubChem CID5459211
IUPAC Name2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Molecular FormulaC13H17N5O8S2
Molecular Weight435.4
XLogP0.3
Topological Polar Surface Area238
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity808
SMILES
C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C2=CSC(=N2)N
InChI
InChI=1S/C13H17N5O8S2/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/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1
InChIKey
WZPBZJONDBGPKJ-IYZXUIDESA-N
Chemical Structure
2D Structure
2D structure of SQ-28429
CAS: 99341-02-3
CID: 5459211
Formula: C13H17N5O8S2
MW: 435.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight435.4
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass435.05185486
Monoisotopic Mass435.05185486
Topological Polar Surface Area238 Ų
Heavy Atom Count28
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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