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2D Structure
Also known as: Ag10 hydrochloride, Ag-10 hydrochloride, Alxn2060 hydrochloride, Acoramidis (hydrochloride), Alxn-2060 hydrochloride, Vy9c88c2nv
Molecular Formula
C15H18ClFN2O3
Molecular Weight
328.76  g/mol
InChI Key
MGFZEARHINUOMX-UHFFFAOYSA-N
FDA UNII
VY9C88C2NV

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid;hydrochloride
2.1.2 InChI
InChI=1S/C15H17FN2O3.ClH/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16;/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20);1H
2.1.3 InChI Key
MGFZEARHINUOMX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NN1)C)CCCOC2=C(C=CC(=C2)C(=O)O)F.Cl
2.2 Other Identifiers
2.2.1 UNII
VY9C88C2NV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Ag10 Hydrochloride

2. Ag-10 Hydrochloride

3. Alxn2060 Hydrochloride

4. Acoramidis (hydrochloride)

5. Alxn-2060 Hydrochloride

6. Vy9c88c2nv

7. Acoramidis Hydrochloride [usan]

8. 2242751-53-5

9. Benzoic Acid, 3-(3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy)-4-fluoro-, Hydrochloride (1:1)

10. Unii-vy9c88c2nv

11. Chembl4650226

12. Schembl20475239

13. Acoramidis Hydrochloride [jan]

14. Hy-109165a

15. Cs-0143619

16. 3-(3-(3-5-dimethyl-1h-pyrazol-4-yl)propoxy)-4-fluorobenzoic Acid Hydrochloride

2.4 Create Date
2018-12-15
3 Chemical and Physical Properties
Molecular Weight 328.76 g/mol
Molecular Formula C15H18ClFN2O3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass328.0989983 g/mol
Monoisotopic Mass328.0989983 g/mol
Topological Polar Surface Area75.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2