Responsive image

Common name


Clemastine

IUPAC name


(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

SMILES


CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1

Compound class


Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Aminoalkyl Ethers; Antihistamines for Systemic Use; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;

Therapeutic area


For the relief of symptoms associated with allergic rhinitis such as sneezing, rhinorrhea, pruritus and acrimation. Also for the management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Used as self-medication for temporary relief of symptoms associated with the common cold.

Common name


Clemastine

IUPAC name


(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

SMILES


CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1

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

FORMULA


C21H26ClNO

Responsive image

Common name


Clemastine

IUPAC name


(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine

Molecular weight


343.890

clogP


5.146

clogS


-5.720

HBond Acceptor


2

HBond Donor


0

Total Polar
Surface Area


12.47

Number of Rings


3

Rotatable Bond


6

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00016 chlorobenzene Responsive image c1ccc(cc1)Cl 0.0718
FDBF00041 ethanol Responsive image CCO 0.1474
FDBF00209 1-methylpyrrolidine Responsive image N1(CCCC1)C 0.0076
FDBF00380 (2S)-1,2-dimethylpyrrolidine Responsive image CC1N(CCC1)C 0.0010
FDBF00601 (1S)-1-(4-chlorophenyl)ethanol Responsive image OC(c1ccc(cc1)Cl)C 0.0003
FDBF00603 ethoxyethane Responsive image O(CC)CC 0.0058
FDBF00604 1-chloro-4-[(1S)-1-methoxyethyl]benzene Responsive image O(C(c1ccc(cc1)Cl)C)C 0.0003
FDBF00605 [(1R)-1-methoxyethyl]benzene Responsive image O(C(C)c1ccccc1)C 0.0010
FDBF00607 [(1R)-1-ethoxyethyl]benzene Responsive image O(C(C)c1ccccc1)CC 0.0007
15 , 2