Adafenoxate

CAS Registry Number®

82168-26-1
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CAS Name

Adafenoxate

Molecular Formula

C20H26ClNO3

Molecular Mass

363.88

Cite this Page

Adafenoxate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82168-26-1 (retrieved 2024-04-23) (CAS RN: 82168-26-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26ClNO3/c21-17-1-3-18(4-2-17)25-13-19(23)24-6-5-22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,22H,5-13H2

InChIKey

InChIKey=PLSMXIQMWYSHIV-UHFFFAOYSA-N

SMILES

N(CCOC(COC1=CC=C(Cl)C=C1)=O)C23CC4CC(C2)CC(C3)C4

Canonical SMILES

O=C(OCCNC12CC3CC(CC(C3)C1)C2)COC4=CC=C(Cl)C=C4

Other Names for this Substance

  • Acetic acid, 2-(4-chlorophenoxy)-, 2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl ester
  • Acetic acid, (4-chlorophenoxy)-, 2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl ester
  • Adafenoxate
  • Melafenoxate

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