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OMDM-3

CAT: 0013-GTR19205252-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205252-02Size:50 mg
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Description
OMDM-3 is a potent and metabolically stable inhibitor of cellular anandamide uptake, exhibiting a Ki of 16.6 μM. This selective small molecule is a valuable research tool for investigating the endocannabinoid system in both in vitro and in vivo models.
CAS Number
616884-64-1
Field of Research
Metabolism Research
Smiles
C ([C@H] (NC (CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC) =O) CO) C1=CC=C (O) C=C1
Molecular Formula
C29H43NO3
Molecular Weight
453.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 146026182
CAS Number616884-64-1
PubChem CID146026182
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]icosa-5,8,11,14-tetraenamide
Molecular FormulaC29H43NO3
Molecular Weight453.7
XLogP7
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count33
Formal Charge0
Complexity586
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)CO
InChI
InChI=1S/C29H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(33)30-27(25-31)24-26-20-22-28(32)23-21-26/h6-7,9-10,12-13,15-16,20-23,27,31-32H,2-5,8,11,14,17-19,24-25H2,1H3,(H,30,33)/b7-6-,10-9-,13-12-,16-15-/t27-/m0/s1
InChIKey
WQJKKJKZACFUAR-CYPURTGSSA-N
Chemical Structure
2D Structure
2D structure of CID 146026182
CAS: 616884-64-1
CID: 146026182
Formula: C29H43NO3
MW: 453.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.7
XLogP37
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass453.32429423
Monoisotopic Mass453.32429423
Topological Polar Surface Area69.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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