Acoramidis Hydrochloride

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 Formula	C₁₅H₁₈ClFN₂O₃
Molecular Weight	328.76 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	328.0989983 g/mol
Monoisotopic Mass	328.0989983 g/mol
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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