Basic information
- CAS
1307803-42-4- Standard SMILES
CCCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc21- InChIKey
DFIOKCGWOUDFRF-UHFFFAOYSA-N- Molecular formula
- C24H23NO2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.17287898
Names & identifiers
- Preferred name
- JWH 018 4-hydroxyindole metabolite
- IUPAC
- (4-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
- English name
- JWH 018 4-hydroxyindole metabolite
- Molecular formula
- C24H23NO2
- Molecular weight
- 357.44
Names & synonyms
JWH 018 4-hydroxyindole metabolite1307803-42-4(4-hydroxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanoneSCHEMBL11983313DTXSID801016931HCC80342MFCD18382134NS00017241(4-hydroxy-1-pentyl-indol-3-yl)-(1-naphthyl)methanone(4-hydroxy-1-pentyl-1H-indol-3-yl)(naphthalen-1-yl)methanone(4-hydroxy-1-pentyl-1H-indol-3-yl)(naphthalen-1-yl)-methanoneMethanone, (4-hydroxy-1-pentyl-1H-indol-3-yl)-1-naphthalenyl-
Database identifiers
- CAS
1307803-42-4- PubChem CID
- 53394446
- DTXSID
DTXSID801016931
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 580.3 · 580.3±30.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml
- pka
- 9.23 · 9.23±0.40(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
DescriptionJWH 018 4-hydroxyindole metabolite is a major monohydroxylated urinary metabolite of JWH 018, a WIN 55,212-2 derivative that is a mildly selective agonist of the peripheral cannabinoid (CB2) receptor. In urine samples, this metabolite is almost completely glucuronidated.1
Suppliers2 total
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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