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JWH 080

CAT: 0931-T84720-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84720-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
210179-44-5
Target
Others
Related Pathways
Others
Bioactivity
JWH 080 is a synthetic cannabinoid that exhibits affinity for both central CB1 receptors (Ki = 5.6 nM) and peripheral CB2 receptors (Ki = 2.2 nM) in vitro. The in vivo physiological and toxicological characteristics of this compound remain uncharacterized. It is designed for forensic and research purposes.
Smiles
C(=O)(C=1C=2C(N(CCCC)C1)=CC=CC2)C=3C4=C(C(OC)=CC3)C=CC=C4
Molecular Formula
C24H23NO2
Molecular Weight
357.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1-Butyl-1H-indol-3-yl)(4-methoxynaphthalen-1-yl)methanone
CAS Number210179-44-5
PubChem CID10546267
IUPAC Name(1-butylindol-3-yl)-(4-methoxynaphthalen-1-yl)methanone
Molecular FormulaC24H23NO2
Molecular Weight357.4
XLogP5.7
Topological Polar Surface Area31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity507
SMILES
CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC
InChI
InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3
InChIKey
PGOAKRPGOLHODL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Butyl-1H-indol-3-yl)(4-methoxynaphthalen-1-yl)methanone
CAS: 210179-44-5
CID: 10546267
Formula: C24H23NO2
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass357.172878976
Monoisotopic Mass357.172878976
Topological Polar Surface Area31.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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