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FDU-PB-22

CAT: 0804-HY-114663-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-114663-01Size:1 mg
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Description
FDU-PB-22 is a new synthetic cannabinoid that is rapidly metabolized in HLM, with a half-life of 12.4 minutes[1].
CAS Number
1883284-94-3
UNSPSC
12352005
Target
Cannabinoid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fdu-pb-22.html
Smiles
O=C(C1=CN(C2=C1C=CC=C2)CC3=CC=C(C=C3)F)OC4=C5C=CC=CC5=CC=C4
Molecular Formula
C26H18FNO2
Molecular Weight
395.43
References & Citations
[1]Xingxing Diao, et al. In Vitro and In Vivo Human Metabolism of Synthetic Cannabinoids FDU-PB-22 and FUB-PB-22. AAPS J. 2016 Mar;18 (2) :455-64.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate

1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 1-naphthalenyl ester is an indolyl carboxylic acid.

CAS Number1883284-94-3
PubChem CID119025888
IUPAC Namenaphthalen-1-yl 1-[(4-fluorophenyl)methyl]indole-3-carboxylate
Molecular FormulaC26H18FNO2
Molecular Weight395.4
XLogP6.4
Topological Polar Surface Area31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity590
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F
InChI
InChI=1S/C26H18FNO2/c27-20-14-12-18(13-15-20)16-28-17-23(22-9-3-4-10-24(22)28)26(29)30-25-11-5-7-19-6-1-2-8-21(19)25/h1-15,17H,16H2
InChIKey
RCEKSVIFQKKFLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CAS: 1883284-94-3
CID: 119025888
Formula: C26H18FNO2
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass395.13215698
Monoisotopic Mass395.13215698
Topological Polar Surface Area31.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity590
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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