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209414-08-4 molecular structure
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1-hexyl-3-(naphthalene-1-carbonyl)-1H-indole

ChemBase ID: 127940
Molecular Formular: C25H25NO
Molecular Mass: 355.4721
Monoisotopic Mass: 355.19361443
SMILES and InChIs

SMILES:
c1cccc2c1cccc2C(=O)c1cn(CCCCCC)c2c1cccc2
Canonical SMILES:
CCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
InChI:
InChI=1S/C25H25NO/c1-2-3-4-9-17-26-18-23(21-14-7-8-16-24(21)26)25(27)22-15-10-12-19-11-5-6-13-20(19)22/h5-8,10-16,18H,2-4,9,17H2,1H3
InChIKey:
PALJPGHWDUHUPO-UHFFFAOYSA-N

Cite this record

CBID:127940 http://www.chembase.cn/molecule-127940.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-hexyl-3-(naphthalene-1-carbonyl)-1H-indole
IUPAC Traditional name
1-hexyl-3-(naphthalene-1-carbonyl)indole
Synonyms
JWH-019
(1-Hexyl-1H-indol-3-yl)-1-naphthalenylmethanone
1-Hexyl-3-(1-naphthoyl)indoleJWH 19
CAS Number
209414-08-4
PubChem SID
162222256
PubChem CID
52224389
Wikipedia Title
JWH-019

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
TRC
H296800 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.95755  LogD (pH = 7.4) 6.95755 
Log P 6.95755  Molar Refractivity 112.1425 cm3
Polarizability 45.915794 Å3 Polar Surface Area 22.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
88-90°C expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Legal Status
Class B (UK), illegal in Sweden, I-N (Poland) expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - H296800 external link
An N-1 alkyl indole cannabinoid receptor agonist. The N-1 alkyl chain length of cannabimimetic indoles influences CB1 and CB2 receptor binding.

REFERENCES

REFERENCES

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  • • D'Ambra, T., et al.: J. Med. Chem., 35, 124 (1992)
  • • Cheng, Y., et al.: Biochem. Pharmacol., 22, 3099 (1992)
  • • Pertwee, R., et al.: Eur. J. Pharmacol., 284, 241 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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