General Information of the Compound
| Compound ID |
CP0054320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenyl-ethoxy]ethyl]-1-methyl-pyrrolidine;fumarate
Show/Hide
|
||||||||||||||||||
| Synonyms |
(+)-(2R)-2-(2-(((R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine
(+)-(2R)-2-[2-[[(R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine
(2R)-2-(2-{[(1R)-1-(4-chlorophenyl)-1-phenylethyl]oxy}ethyl)-1-methylpyrrolidine
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine
2(R)-[2-[(1R)-(4-Chlorophenyl)-1-phenyl-ethoxy]ethyl-1-methylpyrrolidine
2-(2-(4-Chlor-alpha-methylbenzhydryloxy)ethyl)-1-methylpyrrolidin
CLEMASTINE FUMARATE
Clemastina
Clemastina [INN-Spanish]
Clemastine
Clemastine [USAN:BAN]
Clemastinum
Clemastinum [INN-Latin]
HS 592
HS-592
Meclastin
Meclastine
Mecloprodin
Tavegyl
Tavegyl (TN)
Tavist
Tavist (*Fumarate*)
Tavist (TN)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26ClNO
|
||||||||||||||||||
| Molecular Weight |
343.898
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNNUSGIPVFPVBX-NHCUHLMSSA-N
|
||||||||||||||||||
| CAS |
15686-51-8
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Protein ID: PT03795, Solute carrier family 22 member 1
Clinical Information about the Compound