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
FDBF00141 ethylbenzene Responsive image c1(ccccc1)CC 0.0371
FDBF00168 methoxyethane Responsive image CCOC 0.0254
FDBF00309 (1R)-1-phenylethanol Responsive image CC(O)c1ccccc1 0.0034
FDBF00602 (2S)-2-ethyl-1-methyl-pyrrolidine Responsive image C(C1N(CCC1)C)C 0.0007
FDBF00606 2-[(2R)-1-methylpyrrolidin-2-yl]ethanol Responsive image OCCC1N(CCC1)C 0.0003
15 , 2