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O-2093

CAT: 0013-GTR19201041-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201041-02Size:50 mg
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Description
This small molecule inhibitor selectively blocks the cellular reuptake of anandamide, thereby elevating its extracellular levels. It is a valuable research tool for investigating endocannabinoid signaling in both in vitro assays and in vivo models of neurological and inflammatory processes.
CAS Number
439080-01-0
Field of Research
Pharmacology & Drug Discovery
Smiles
N (CC1=CC (Cl) =C (O) C=C1) (CC2=CC (Cl) =C (O) C=C2) C (CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC) =O
Molecular Formula
C34H43Cl2NO3
Molecular Weight
584.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5Z,8Z,11Z,14Z)-N,N-Bis[(3-chloro-4-hydroxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
CAS Number439080-01-0
PubChem CID9894629
IUPAC Name(5Z,8Z,11Z,14Z)-N,N-bis[(3-chloro-4-hydroxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
Molecular FormulaC34H43Cl2NO3
Molecular Weight584.6
XLogP9.8
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Heavy Atom Count40
Formal Charge0
Complexity768
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CC1=CC(=C(C=C1)O)Cl)CC2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C34H43Cl2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(40)37(26-28-20-22-32(38)30(35)24-28)27-29-21-23-33(39)31(36)25-29/h6-7,9-10,12-13,15-16,20-25,38-39H,2-5,8,11,14,17-19,26-27H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
XRJQDZXKLCOTGV-DOFZRALJSA-N
Chemical Structure
2D Structure
2D structure of (5Z,8Z,11Z,14Z)-N,N-Bis[(3-chloro-4-hydroxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
CAS: 439080-01-0
CID: 9894629
Formula: C34H43Cl2NO3
MW: 584.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.6
XLogP39.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count18
Exact Mass583.2619996
Monoisotopic Mass583.2619996
Topological Polar Surface Area60.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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