beta-Hydroxyfentanyl hydrochloride
Basic information
- CAS
1473-95-6- Standard SMILES
CCC(=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2)CC1.Cl- InChIKey
NTUISTSMMNDSGF-UHFFFAOYSA-N- Molecular formula
- C22H29ClN2O2
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1917559
Names & identifiers
- Preferred name
- beta-Hydroxyfentanyl hydrochloride
- IUPAC
- N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
- English name
- β-Hydroxy Fentanyl Hydrochloride
- Molecular formula
- C22H29ClN2O2
- Molecular weight
- 388.93086
Names & synonyms
1473-95-6beta-Hydroxyfentanyl hydrochlorideB3PJP2Y2Q3DTXSID9048934NIH 10506UNII-B3PJP2Y2Q3B-Hydroxyfentanyl hydrochlorideR 4333beta-Hydroxy fentanyl hydrochlorideN-(1-(2-Hydroxy-2-phenylethyl)-4-piperidyl)-N-phenylpropanamide hydrochloridePropanamide, N-(1-(2-hydroxy-2-phenylethyl)-4-piperidinyl)-N-phenyl-, hydrochloride (1:1)Propionanilide, N-(1-(beta-hydroxyphenethyl)-4-piperidyl)-, monohydrochloride
Show more names
β-hydroxy Fentanyl hydrochloride.beta.-hydroxy Fentanyl (hydrochloride)β-hydroxy Fentanyl (hydrochloride) (exempt preparation)b-Hydroxy Fentanyl Hydrochloride (1 mg/mL in Acetonitrile)β-Hydroxy Fentanyl Hydrochloride (1.0mg/ml in Acetonitrile)N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide:hydrochloride
NCGC00247693-01beta-Hydroxy Fentanyl Hydrochloride (1.0mg/ml in Acetonitrile)N-[1-(2-Hydroxy-2-phenylethyl)-4-piperidyl]-N-phenylpropanamide hydrochloridebeta-hydroxy Fentanyl (hydrochloride)CHEMBL3188286DTXCID6028860BAA47395Tox21_112843
Database identifiers
- CAS
1473-95-6- PubChem CID
- 60196321
- DTXSID
DTXSID9048934- ChEMBL
CHEMBL3188286- UNII
- B3PJP2Y2Q3
Properties
Computed structural properties
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Melting point
- 215 · 215-219°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 20 mg/ml; Methanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- FDA UNII
- 3 PJP2Y2Q3 · B3PJP2Y2Q3
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
Chemistry & industry
Applications
UsesA Fentanyl analog. An opiate receptor. Controlled Substance.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…