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NH
Date
3 substances in Re2016-03-25 07h:12m:24s (EST) axys
1. Query
Search as: As drawn
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Reaxys ID 2693343 View in Reaxys
1/3 CAS Registry Number: 2201-15-2 Chemical Name: Cyclohexamine; ethyl-(1-phenyl-cyclohexyl)amine; Aethyl-(1-phenyl-cyclohexyl)-amin; N-ethyl-1-phenylcyclohexylamine; cyclohexamine; N-<1-Phenyl-cyclohexyl>-aethylamin; Aethyl-<1-phenyl-cyclohexyl>-amin Linear Structure Formula: C14H21N Molecular Formula: C14H21N Molecular Weight: 203.327 Type of Substance: isocyclic InChI Key: IFYLVUHLOOCYBG-UHFFFAOYSA-N Note:
NH
Substance Label (10) Label References 3
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys; Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys; Kalir; Teomy; Amir; Fuchs; Lee; Holsztynska; Rocki; Domino; Journal of Medicinal Chemistry; vol. 27; nb. 10; (1984); p. 1267 - 1271, View in Reaxys
1h
Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys
IV
Bailey; Journal of Pharmaceutical Sciences; vol. 67; nb. 6; (1978); p. 885 - 886, View in Reaxys
II
Kalir et al.; European Journal of Medicinal Chemistry; vol. 13; (1978); p. 17,18, View in Reaxys
s.S.2
Patent; Sokolovsky; Mordechai; DE2339342; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys
1
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
11
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
18
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
9
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
8
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
Patent-Specific Data (1) Location in Patent References Claim
Patent; STRATTON, CHARLES W; MITCHELL, WILLIAM M; US2001/2421; (2001); (A1) English, View in Reaxys
Derivative (14) Comment (Deriva- References tive) HCl: F: 233-236grad; IR sp.; UV
Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys
Hydrochlorid: F: 232-235grad (Tab.3); 13CNMR (Tab.1)
Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys
HCl: F: 234-236grad (unkorr.)
Kalir et al.; European Journal of Medicinal Chemistry; vol. 13; (1978); p. 17,18, View in Reaxys
Hydrochlorid: F: 232-234grad, IR, 1H-NMR, MS
Bailey; Journal of Pharmaceutical Sciences; vol. 67; nb. 6; (1978); p. 885 - 886, View in Reaxys
Hydrochlorid (ver- Patent; Sokolovsky; Mordechai; DE2339342; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys mutlich): F: 235grad (S.7) Hydrochlorid C14H21N*HCl. mp: 240-242grad<unkorr.>, 236-237grad<un-
Maddox,V.H. et al.; J. Med. Chem.; vol. 8; (1965); p. 230 - 235, View in Reaxys
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korr.>; pk(a)': 9.7 <50percentig.aq.MeOH> Pikrat: F: 158-159grad
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
Hydrochlorid: F: 230grad
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
Hydrochlorid: F: 236-237grad
Patent; Godefroi, Parcell (Parke, Davis Co.); US3145229; (1960); Chem.Abstr.; vol. 61; nb. 9434a; (1964), View in Reaxys
Hydrochlorid: F: Patent; Parke, Davis u.Co.; US3097136; (1960); Chem.Abstr.; vol. 59; nb. 13881; (1963), View in Reaxys 230-237grad, Ae., Isopropylalk. HCl-Salz, F: 230grad
Patent; Tanabe Seiyaku Co.Ltd.; JP652662; (1959); Chem.Abstr.; vol. 58; nb. 13842; (1963), View in Reaxys
Picrat, F: 158-159grad
Patent; Tanabe Seiyaku Co.Ltd.; JP652662; (1959); Chem.Abstr.; vol. 58; nb. 13842; (1963), View in Reaxys
Hydrochlorid. mp: 236-237grad
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
Hydrochlorid. mp: Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys 236-237grad<aus Propan-2-ol +Et2O> Melting Point (2) 1 of 2
Melting Point [°C]
221
Patent; Sokolovsky; Mordechai; DE233942; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys 2 of 2
Melting Point [°C]
95
Patent; Tanabe Seiyaku Co.Ltd.; JP652662; (1959); Chem.Abstr.; vol. 58; nb. 13842; (1963), View in Reaxys Boiling Point (7) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
103 - 105
0.5
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys
69 - 71
0.04
Maddox,V.H. et al.; J. Med. Chem.; vol. 8; (1965); p. 230 - 235, View in Reaxys
95
0.3
Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys
104 - 108
2.5
Patent; Godefroi, Parcell (Parke, Davis Co.); US3145229; (1960); Chem.Abstr.; vol. 61; nb. 9434a; (1964), View in Reaxys; Patent; Parke, Davis u.Co.; US3097136; (1960); Chem.Abstr.; vol. 59; nb. 13881; (1963), View in Reaxys; Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
114 - 116
5
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
110 - 112
2.5
Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys
85 - 89
0.1
Chiavarelli et al.; Gazzetta Chimica Italiana; vol. 83; (1953); p. 347,354, View in Reaxys
Refractive Index (3) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Re- References fractive Index) [°C]
1.5324
589
20
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys
1.5285
589
25.5
Maddox,V.H. et al.; J. Med. Chem.; vol. 8; (1965); p. 230 - 235, View in Reaxys
1.5299
589
19
Chiavarelli et al.; Gazzetta Chimica Italiana; vol. 83; (1953); p. 347,354, View in Reaxys
Further Information (2)
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Description (Further Information)
References
Further information
Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys
Further information
Patent; Sokolovsky; Mordechai; DE2339342; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys
Liquid/Liquid Systems (MCS) (1) 1 of 1
Description (Liquid/Liquid Systems (MCS))
Distribution between solvent 1 + 2
Kalir et al.; European Journal of Medicinal Chemistry; vol. 13; (1978); p. 17,18, View in Reaxys NMR Spectroscopy (1) 1 of 1
Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)
1H
Bailey; Journal of Pharmaceutical Sciences; vol. 67; nb. 6; (1978); p. 885 - 886, View in Reaxys IR Spectroscopy (1) 1 of 1
Description (IR Spectroscopy)
IR
Bailey; Journal of Pharmaceutical Sciences; vol. 67; nb. 6; (1978); p. 885 - 886, View in Reaxys Mass Spectrometry (1) References Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys UV/VIS Spectroscopy (1) 1 of 1
Description (UV/VIS Spectroscopy)
Absorption maxima
Maddox,V.H. et al.; J. Med. Chem.; vol. 8; (1965); p. 230 - 235, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Maddox,V.H. et al.; J. Med. Chem.; vol. 8; (1965); p. 230 - 235, View in Reaxys; Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys; Patent; STRATTON, CHARLES W; MITCHELL, WILLIAM M; US2001/2421; (2001); (A1) English, View in Reaxys; Brine; Williams; Boldt; Carroll; Journal of Heterocyclic Chemistry; vol. 16; nb. 7; (1979); p. 1425 - 1429, View in Reaxys; Chiavarelli et al.; Gazzetta Chimica Italiana; vol. 83; (1953); p. 347,354, View in Reaxys; Kalir et al.; European Journal of Medicinal Chemistry; vol. 13; (1978); p. 17,18, View in Reaxys; Patent; Tanabe; JP1908767; (1960); Chem.Abstr.; vol. 69; nb. 10195f; (1968), View in Reaxys; Patent; Godefroi, Parcell (Parke, Davis Co.); US3145229; (1960); Chem.Abstr.; vol. 61; nb. 9434a; (1964), View in Reaxys; Bailey; Journal of Pharmaceutical Sciences; vol. 67; nb. 6; (1978); p. 885 - 886, View in Reaxys; Patent; Parke, Davis u.Co.; US3097136; (1960); Chem.Abstr.; vol. 59; nb. 13881; (1963), View in Reaxys; Patent; Parke; Davis and Co.; GB861350; (1958); Chem.Abstr.; vol. 55; nb. 17583; (1961), View in Reaxys; Bailey; Legault; Journal - Association of Official Analytical Chemists; vol. 62; nb. 5; (1979); p. 1124 - 1137, View in Reaxys; Patent; Tanabe Seiyaku Co.Ltd.; JP652662; (1959); Chem.Abstr.; vol. 58; nb. 13842; (1963), View in Reaxys; Patent; Sokolovsky; Mordechai; DE233942; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys; Patent; Sokolovsky; Mordechai; DE2339342; (1974); Chem.Abstr.; vol. 80; nb. 132908, View in Reaxys; Kalir; Teomy; Amir; Fuchs; Lee; Holsztynska; Rocki; Domino; Journal of Medicinal Chemistry; vol. 27; nb. 10; (1984); p. 1267 - 1271, View in Reaxys; Patent; Bristol, David William; King, Clifford Riley; Mitchener, JR., Joseph Pike; Audia, Vicki Haynes; US2008/293695; (2008); (A1) English, View in Reaxys; Hansen, Kasper B.; Mullasseril, Praseeda; Dawit, Sara; Kurtkaya, Natalie L.; Yuan, Hongjie; Vance, Katie M.; Orr, Anna G.; Kvist, Trine; Ogden, Kevin K.; Le, Phuong; Vellano, Kimberly M.; Lewis, Iestyn; Kurtkaya, Serdar; Du, Yuhong; Qui, Min; Murphy; Snyder, James P.; Braeuner-Osborne, Hans; Traynelis, Stephen F.; Journal of Pharmacology and Experimental Therapeutics; vol. 333; nb. 3; (2010); p. 650 - 662, View in Reaxys; Martin; Katzen; Woods; Tripathi; Harris; May; The Journal of pharmacology and experimental therapeutics; vol. 231; nb. 3; (1984); p. 539 - 544, View in Reaxys; Zukin; Proceedings of the National Academy of Sciences of the United States of America; vol. 76; nb. 10; (1979); p. 5372 - 5376, View in Reaxys 2 of 2
Comment (Pharmacological Data)
reversible inhibitor of butyrylcholinesterase (BChE)
Kalir; Teomy; Amir; Fuchs; Lee; Holsztynska; Rocki; Domino; Journal of Medicinal Chemistry; vol. 27; nb. 10; (1984); p. 1267 - 1271, View in Reaxys
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Use (1) Use Pattern
References
Anti-abuse
Patent; Bristol, David William; King, Clifford Riley; Mitchener, JR., Joseph Pike; Audia, Vicki Haynes; US2008/293695; (2008); (A1) English, View in Reaxys
Reaxys ID 6784662 View in Reaxys
2/3 Chemical Name: Cyclohexamine hydrochloride Linear Structure Formula: C14H21N*ClH Molecular Formula: C14H21N*ClH Molecular Weight: 239.788 Type of Substance: isocyclic InChI Key: BDNANSUXFSDBMA-UHFFFAOYSA-N Note:
NH Cl
H
Substance Label (1) Label References 3a
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
236 - 238
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys Pharmacological Data (1) 1 of 1
Comment (Pharmacological Data)
Bioactivities present
Maddox,V.H. et al.; J. Med. Chem.; vol. 8; (1965); p. 230 - 235, View in Reaxys; Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys; Pinchasi; Maayani; Sokolovsky; Biochemical Pharmacology; vol. 26; nb. 18; (1977); p. 1671 - 1679, View in Reaxys; Kloog; Rehavi; Maayani; Sokolovsky; European Journal of Pharmacology; vol. 45; nb. 3; (1977); p. 221 - 227, View in Reaxys
Reaxys ID 6790243 View in Reaxys
3/3 O
O
Linear Structure Formula: C14H21N*C6H3N3O7 Molecular Formula: C6H3N3O7*C14H21N Molecular Weight: 432.433 Type of Substance: isocyclic InChI Key: WKFDERGBAGKQHH-UHFFFAOYSA-N Note:
N
NH
O HO
N O
O
N O
Substance Label (1) Label References 3b
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys
Melting Point (1) 1 of 1
Melting Point [°C]
164 - 166
Kalir; Edery; Pelah; Balderman; Porath; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 473 - 477, View in Reaxys
Copyright © 2016 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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