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Ampreloxetine
Also known as: Ampreloxetine [usan], Td-9855, 1227056-84-9, 19997ez42i, 4-(2-(2,4,6-trifluorophenoxymethyl)phenyl)piperidine, 4-[2-(2,4,6-trifluorophenoxymethyl)phenyl]piperidine
Molecular Formula
C18H18F3NO
Molecular Weight
321.3  g/mol
InChI Key
TZIALEBTHQWNAO-UHFFFAOYSA-N
FDA UNII
19997EZ42I

Ampreloxetine is under investigation in clinical trial NCT03750552 (Clinical Effect of TD-9855 for Treating snOH in Subjects With Primary Autonomic Failure).
1 2D Structure

Ampreloxetine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[2-[(2,4,6-trifluorophenoxy)methyl]phenyl]piperidine
2.1.2 InChI
InChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2
2.1.3 InChI Key
TZIALEBTHQWNAO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNCCC1C2=CC=CC=C2COC3=C(C=C(C=C3F)F)F
2.2 Other Identifiers
2.2.1 UNII
19997EZ42I
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(2-(2,4,6-trifluorophenoxymethyl)phenyl)piperidine

2. Td-9855

2.3.2 Depositor-Supplied Synonyms

1. Ampreloxetine [usan]

2. Td-9855

3. 1227056-84-9

4. 19997ez42i

5. 4-(2-(2,4,6-trifluorophenoxymethyl)phenyl)piperidine

6. 4-[2-(2,4,6-trifluorophenoxymethyl)phenyl]piperidine

7. Unii-19997ez42i

8. Ampreloxetine [inn]

9. Ampreloxetine (usan/inn)

10. Schembl2333436

11. Chembl4297646

12. Who 10867

13. Db15348

14. D11688

2.4 Create Date
2010-07-06
3 Chemical and Physical Properties
Molecular Weight 321.3 g/mol
Molecular Formula C18H18F3NO
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass321.13404868 g/mol
Monoisotopic Mass321.13404868 g/mol
Topological Polar Surface Area21.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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