General Information of the Compound
| Compound ID |
CP0403189
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| Compound Name |
1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
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| Synonyms |
1-(p-Methylphenyl)-2-pyrrolidyl-1-pentanone hydrochloride
1-Pentanone, 1-(4-methylphenyl)-2-(1-pyrrolidinyl)-, hydrochloride
1-p-Tolyl-1-oxo-2-pyrrolidino-n-pentane hydrochloride
1147-62-2
4'-Methyl-2-(1-pyrrolidinyl)valerophenone hydrochloride
AC1L23PD
Centroton
DEA No. 1485
EINECS 214-556-9
F 1983
PYROVALERONE
PYROVALERONE HYDROCHLORIDE
Pyrovalerone HCl
Pyrovalerone hydrochloride (USAN)
Pyrovalerone hydrochloride [USAN]
SCHEMBL121638
Sp 1059
Thymergix
Valerophenone, 4'-methyl-2-(1-pyrrolidinyl)-, hydrochloride
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| Structure |
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| Formula |
C16H23NO
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| Molecular Weight |
245.366
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
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| InChIKey |
SWUVZKWCOBGPTH-UHFFFAOYSA-N
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| CAS |
3563-49-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound