Benzimidazoline-1-propionitrile, 3-(1-(p-chloro-alpha-methylbenzyl)4-piperidyl)-2-oxo-, hydrochloride
Basic information
- CAS
16145-71-4- Standard SMILES
CC(c1ccc(Cl)cc1)N1CCC(n2c(=O)n(CCC#N)c3ccccc32)CC1.Cl- InChIKey
SLOVDXVMOHNKJL-UHFFFAOYSA-N- Molecular formula
- C23H26Cl2N4O
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 444.1483669
Names & identifiers
- Preferred name
- Benzimidazoline-1-propionitrile, 3-(1-(p-chloro-alpha-methylbenzyl)4-piperidyl)-2-oxo-, hydrochloride
- IUPAC
- 3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile;hydrochloride
- English name
- N-Propionitrile Chlorphine (hydrochloride)
- Molecular formula
- C23H25ClN4O.ClH
- Molecular weight
- 445.39
Names & synonyms
1-(1-(1-p-Chlorophenylethyl)-4-piperidyl)-3-(2-cyanoethyl)-3-benzimidazolinone hydrochlorideBenzimidazoline-1-propionitrile, 3-(1-(p-chloro-alpha-methylbenzyl)4-piperidyl)-2-oxo-, hydrochloride6511-82-6RefChem:326000N-Propionitrile Chlorphine (hydrochloride)16145-71-4EAH7VGL7APCychlorphine hydrochlorideDTXSID90983656N-Propionitrile chlorphine hydrochloridePD212827HY-150332
Show more names
1-Benzimidazolinepropionitrile, 3-[1-(p-chloro-alpha-methylbenzyl)-4-piperidyl]-2-oxo-, monohydrochloride, (+/-)-1H-Benzimidazole-1-propanenitrile, 3-[1-[1-(4-chlorophenyl)ethyl]-4-piperidinyl]-2,3-dihydro-2-oxo-, hydrochloride (1:1)3-(3-{1-[1-(4-Chlorophenyl)ethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)propanenitrile--hydrogen chloride (1/1)3-(3-{1-[1-(4-Chlorophenyl)ethyl]piperidin-4-yl}-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanenitrile hydrogen chloride (1:1)3-[1-[1-(4-Chlorophenyl)ethyl]-4-piperidinyl]-2,3-dihydro-2-oxo-1H-benzimidazole-1-propanenitrile hydrochloride
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Melting point
- 211.5 · 211.5-216.5 °C
- solubility
- DMSO: SolubleMethanol: Soluble
Chemistry & industry
Applications
DescriptionN-Propionitrile chlorphine (hydrochloride) (Item No. 40326) is an analytical reference standard that is structurally similar to known opioids. This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use.
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Compound notes
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