Basic information
- CAS
120656-93-1- Standard SMILES
CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nnn(CC)c2=O)CC1.Cl- InChIKey
YMRJQYDWCFOMRR-UHFFFAOYSA-N- Molecular formula
- C25H32ClFN6O2
- Average molar mass
- 503 g/mol
- Monoisotopic mass
- 502.2259301
Overview
See also: Trefentanil (has active moiety).
Names & identifiers
- Preferred name
- Trefentanil Hydrochloride
- IUPAC
- N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
- English name
- trefentanil
- Molecular formula
- C25H31FN6O2.ClH
- Molecular weight
- 503.019
Names & synonyms
TREFENTANIL HYDROCHLORIDE120656-93-1Trefentanil HClTrefentanil hydrochloride [USAN]A-3665.HCLUNII-20742ZOB3GA-3665 HYDROCHLORIDE20742ZOB3GTrefentanil hydrochloride (USAN)DTXSID40152956TREFENTANIL HYDROCHLORIDE [WHO-DD]Propanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-phenyl-4-piperidinyl)-N-(2-fluorophenyl)-, monohydrochloride
Show more names
1-(2-(4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZOL-1-YL)ETHYL)-4-PHENYL-4-(N-(2-FLUOROPHENYL)PROPIONAMIDO)PIPERIDINE HYDROCHLORIDEPROPANAMIDE, N-(1-(2-(4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZOL-1-YL)ETHYL)-4-PHENYL-4-PIPERIDINYL)-N-(2-FLUOROPHENYL)-, HYDROCHLORIDE (1:1)RefChem:190711DTXCID0075447Propanamide, N-(1-(2-(4-ethyl- 4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-phenyl-4-piperidinyl)-N-(2-fluorophenyl)-, monohydrochlorideN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl]-N-(2-fluorophenyl)propanamide;hydrochlorideA 3665.HClN-(1-(2-(4-Ethyl-5-oxo-delta(sup 2)-tetrazolin-1-yl)ethyl)-4-phenyl-4-piperidyl)-2'-fluoropropionanilide monohydrochloride
Database identifiers
- CAS
120656-93-1
Properties
Computed structural properties
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 735
Physicochemical properties
- FDA UNII
- 20742 ZOB3G · 20742ZOB3G
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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