Query Query
1. Query O
N
Results
Date
3 substances in Reaxys
2018-03-25 13h:03m:51s (EST)
Search as: As drawn
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Reaxys ID 1252112 View in Reaxys
O
1/3 CAS Registry Number: 72242-03-6 Chemical Name: 1-[1-(3-methoxy-phenyl)-cyclohexyl]-piperidine Linear Structure Formula: C18H27NO Molecular Formula: C18H27NO Molecular Weight: 273.418 Type of Substance: heterocyclic InChI Key: BQQSZHHKGPOXLN-UHFFFAOYSA-N Note:
N
Substance Label (2) Label References 10 (methylated -5)
Masumoto; Takeuchi; Ohta; Hirobe; Chemical and Pharmaceutical Bulletin; vol. 37; nb. 7; (1989); p. 1788 1794, View in Reaxys
GK 28
Geneste et al.; European Journal of Medicinal Chemistry; vol. 14; (1979); p. 301,302, View in Reaxys
Druglikeness (1) 1 of 1
LogP
4.133
H Bond Donors
0
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
12.47
Lipinski Number
4
Veber Number
2
Derivative (1) Comment (Derivative) *HCl: F: 206-207grad (korr.); pK(a)
References Geneste et al.; European Journal of Medicinal Chemistry; vol. 14; (1979); p. 301,302, View in Reaxys
Mass Spectrometry (1) Description (Mass References Spectrometry) spectrum; electron impact (EI)
Masumoto; Takeuchi; Ohta; Hirobe; Chemical and Pharmaceutical Bulletin; vol. 37; nb. 7; (1989); p. 1788 1794, View in Reaxys
Medchem (1) 1 of 1
Bioassay Category
In Vivo (Animal models)
Bioassay Name
Rotarod test
Biological Species/NCBI Swiss Webster mouse ID Substance RN
1252112View in Reaxys
Substance Name
GK28
Substance Route of Adm.
subcutaneous administration
Substance Dosing Regi- Single men Measurement Parameter
ED50
Unit
mg/kg
Quantitative value
4.8
Geneste; Kamenka; Ung; et al.; European Journal of Medicinal Chemistry; vol. 14; nb. 4; (1979); p. 301 - 308, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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Reaxys ID 8173165 View in Reaxys Cl
H 11 3 C
O
2/3 Chemical Name: [11C]-N-[1-(3-methoxyphenyl)cyclohexyl]piperidine Linear Structure Formula: C17 (11)CH27NO*ClH Molecular Formula: C18H27NO*ClH Molecular Weight: 308.868 Type of Substance: heterocyclic InChI Key: MFBXZMQWSUHTBV-ULWFUOSBSA-N Note:
H
N
Substance Label (1) Label References <11C>3
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys
Druglikeness (1) 1 of 1
LogP
4.645
H Bond Donors
0
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
12.47
Lipinski Number
4
Veber Number
2
Medchem (2) 1 of 2
Bioassay Category
In Vivo (Animal models)
Bioassay Name
In vivo Measurement
Bioassay Details
Effect : |transport Bioassay : in vivo; treatment with title comp.; mice were killed and brain was removed; distribution of 11C in blood were determined at 1, 5, 15, 30 min after dosing
Biological Species/NCBI Mus musculus ID Substance RN
8173165View in Reaxys
Substance Name
<11C>3
Substance Route of Adm.
intravenous administration
Qualitative Results
blood, percent dose/g: 1.59 (1 min), 1.47 (5 min), 1.06, (15 min), 0.70 (30 min)
Measurement Parameter
Qualitative
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys 2 of 2
Bioassay Category
In Vivo (Animal models)
Bioassay Name
In vivo Measurement
Bioassay Details
Effect : |transport Bioassay : in vivo; treatment with title comp.; mice were killed and brain was removed; distribution of 11C in 4 brain regions were determined at 1, 5, 15, 30 min after dosing
Biological Species/NCBI Mus musculus ID Substance RN
8173165View in Reaxys
Substance Name
<11C>3
Substance Route of Adm.
intravenous administration
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Qualitative Results
cerebral cortex, percent dose/g, at 1/5/15/30 min: 1.45/1.68/1.28/0.85; hippocampus, percent dose/g, at 1/5/15/30 min: 1.43/1.47/1.22/0.80; striatum, percent dose/g, at 1/5/15/30 min: 1.56/1.72/1.26/0.80; cerebellum, percent dose/g, at 1/5/15/30
Measurement Parameter
Qualitative
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys
Reaxys ID 4606231 View in Reaxys Cl
O
3/3 CAS Registry Number: 91164-58-8 Chemical Name: N-[1-(3-methoxyphenyl)cyclohexyl]piperidine Linear Structure Formula: C18H27NO*ClH Molecular Formula: C18H27NO*ClH Molecular Weight: 309.879 Type of Substance: heterocyclic InChI Key: MFBXZMQWSUHTBV-UHFFFAOYSA-N Note:
H
N
Substance Label (2) Label References 3
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys
2a
Brine; Boldt; Coleman; Carroll; Journal of Heterocyclic Chemistry; vol. 21; nb. 1; (1984); p. 71 - 75, View in Reaxys
Druglikeness (1) 1 of 1
LogP
4.645
H Bond Donors
0
H Bond Acceptors
1
Rotatable Bonds
3
TPSA
12.47
Lipinski Number
4
Veber Number
2
Melting Point (1) 1 of 1
Melting Point [°C]
196 - 197
Brine; Boldt; Coleman; Carroll; Journal of Heterocyclic Chemistry; vol. 21; nb. 1; (1984); p. 71 - 75, View in Reaxys Crystal Property Description (1) Colour & Other References Properties light-yellow
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys
Partition octan-1-ol/water (MCS) (1) 1 of 1
log POW
1.92
Temperature (Partition octan-1-ol/water (MCS)) [°C]
23
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys NMR Spectroscopy (3)
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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1 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- CDCl3 scopy) Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys 2 of 3
Nucleus (NMR Spectroscopy)
1H
Coupling Nuclei
1H
Solvents (NMR Spectro- CDCl3 scopy) Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys 3 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
13C
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Brine; Boldt; Coleman; Carroll; Journal of Heterocyclic Chemistry; vol. 21; nb. 1; (1984); p. 71 - 75, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) field desorption
Haradahira, Terushi; Sasaki, Sigeki; Maeda, Minoru; Kobayashi, Kaoru; Inoue, Osamu; Tomita, Urara; Nishikawa, Toru; Suzuki, Kazutoshi; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 41; nb. 9; (1998); p. 843 - 858, View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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