Clemastine

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Systematic / IUPAC Name: (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine

ID: Reference1984

Other Names: Meclastin;
Mecloprodin;
Tavist-1;
Meclastine;
2-[2-(4-Chlor-α-methylbenzhydryloxy)ethyl]-1-methylpyrrolidin ; more

Formula: C21H26ClNO

Class: Therapeutics/Prescription Drugs

Spectral Data

Clemastine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/31/2015 9:09:42 AM
View Mass Spec Data > >

Identificators

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
InChI Key YNNUSGIPVFPVBX-NHCUHLMSSA-N
Canonical SMILES CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C
CAS
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Other Names Meclastin;
Mecloprodin;
Tavist-1;
Meclastine;
2-[2-(4-Chlor-α-methylbenzhydryloxy)ethyl]-1-methylpyrrolidin;
(+)-(2R)-2-(2-{[(R)-p-Chloro-α-methyl-α-phenylbenzyl]oxy}ethyl)-1-methylpyrrolidine;
Pyrrolidine, 2-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methyl-, [R-(R*,R*)]-;
(+)-(2R)-2-(2-{[(R)-p-Chloro-α-methyl-α-phenylbenzyl]oxy}ethyl)-1-methylpyrrolidine;
2(R)-2-[(1R)-(4-Chlorophenyl)-1-phenyl-ethoxy]ethyl-1-methylpyrrolidine;
(2R)-2-(2-{[(1R)-1-(4-Chlorophenyl)-1-phenylethyl]oxy}ethyl)-1-methylpyrrolidine

In Other Databases

KEGG C06913; D00666; D03535
Wikipedia Clemastine
PubChem 26987
ChEMBL CHEMBL1626
ChemSpider 25129
DrugBank APRD00875
HMDb HMDB14428
ChEBI CHEBI:3738
ChemIDPlus 014976579; 015686518; 076207528