Clemastine

CAS Registry Number®

15686-51-8
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CAS Name

Clemastine

Molecular Formula

C21H26ClNO

Molecular Mass

343.89

Cite this Page

Clemastine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15686-51-8 (retrieved 2024-05-28) (CAS RN: 15686-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    154 °C @ Press: 0.02 Torr

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey

InChIKey=YNNUSGIPVFPVBX-NHCUHLMSSA-N

SMILES

[C@@](OCC[C@@H]1N(C)CCC1)(C)(C2=CC=C(Cl)C=C2)C3=CC=CC=C3

Canonical SMILES

ClC1=CC=C(C=C1)C(OCCC2N(C)CCC2)(C=3C=CC=CC3)C

Other Names for this Substance

  • Pyrrolidine, 2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, (2R)-
  • Pyrrolidine, 2-[2-[(p-chloro-α-methyl-α-phenylbenzyl)oxy]ethyl]-1-methyl-, (+)-
  • Pyrrolidine, 2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R*,R*)]-
  • (2R)-2-[2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
  • Clemastine

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