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TP0586532

CAT: 1410-M28602-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28602-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TP0586532 is effective against carbapenem-resistant Klebsiella pneumoniae and does not pose a cardiovascular risk.
CAS Number
2427584-96-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
460.52
Molecular Formula
C26H28N4O4
Notes
Research use only, not for human use.
Receptor
CB1R

Chemical Information

4-[(1R,5S,6R)-6-(2-{4-[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
CAS Number2427584-96-9
PubChem CID155294517
IUPAC Name4-[(1R,5S)-6-[2-[4-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
Molecular FormulaC26H28N4O4
Molecular Weight460.5
XLogP-0.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
C[C@@H](C1=NC=CN1CC2=NOC(=C2)C3=CC=C(C=C3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O
InChI
InChI=1S/C26H28N4O4/c1-17(31)26-27-10-12-30(26)14-20-13-24(34-28-20)19-7-4-18(5-8-19)6-9-21-22-15-29(16-23(21)22)11-2-3-25(32)33/h4-5,7-8,10,12-13,17,21-23,31H,2-3,11,14-16H2,1H3,(H,32,33)/t17-,21?,22-,23+/m0/s1
InChIKey
PULUMLQUYYSBOR-BOSCWZPRSA-N
Chemical Structure
2D Structure
2D structure of 4-[(1R,5S,6R)-6-(2-{4-[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]phenyl}ethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
CAS: 2427584-96-9
CID: 155294517
Formula: C26H28N4O4
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass460.21105539
Monoisotopic Mass460.21105539
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
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

Alternative Products

CatalogName
BA1342-1TP0586532

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