ABT-346

Synopsis, Chemistry

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Also known as: 1226895-20-0, Atb-346, Atb 346, Otenaproxesul, (s)-atb-346, 3096o7wp53

Molecular Formula

C₂₁H₁₉NO₃S

Molecular Weight

365.4 g/mol

InChI Key

YCNMAPLPQYQJFC-UHFFFAOYSA-N

FDA UNII

3096O7WP53

ATB-346 is under investigation in clinical trial NCT03220633 (Study To Assess Safety, Tolerability And PK Of ATB-346 In Healthy Subjects).

1 2D Structure

ABT-346

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate

2.1.2 InChI

InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)

2.1.3 InChI Key

YCNMAPLPQYQJFC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N

2.2 Other Identifiers

2.2.1 UNII

3096O7WP53

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(6-methoxy-napthalen-2-yl)-propionic Acid 4-thiocarbamoyl-phenyl Ester

2. Atb-346

2.3.2 Depositor-Supplied Synonyms

1. 1226895-20-0

2. Atb-346

3. Atb 346

4. Otenaproxesul

5. (s)-atb-346

6. 3096o7wp53

7. (4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate

8. 2-naphthaleneacetic Acid, 6-methoxy-alpha-methyl-, 4-(aminothioxomethyl)phenyl Ester

9. Atb346

10. 4-carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate.

11. Unii-3096o7wp53

12. Abt-346

13. Schembl2883303

14. Chembl4211107

15. Otenaproxesul, (+/-)-

16. Dtxsid201336751

17. Bcp09624

18. Bzb89520

19. Ex-a1790

20. Mfcd19443776

21. Akos025405101

22. Db15377

23. Sb16824

24. Ncgc00386745-04

25. Ac-35902

26. Da-35319

27. Hy-15028

28. B3584

29. Ft-0706066

30. S6615

31. Q27255936

32. 4-(aminocarbothioyl)phenyl 2-(6-methoxy-2-naphthyl)propanoate

33. 4-thiocarbamoylphenyl 2-(2-methoxynaphthalen-6-yl)propanoate

34. 2-(6-methoxy-napthalen-2-yl)-propionic Acid 4-thiocarbamoyl-phenyl Ester

35. 2-naphthaleneacetic Acid, 6-methoxy-.alpha.-methyl-, 4-(aminothioxomethyl)phenyl Ester

2.4 Create Date

2008-12-01

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₁₉NO₃S
Molecular Weight	365.4 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	365.10856464 g/mol
Monoisotopic Mass	365.10856464 g/mol
Topological Polar Surface Area	93.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	504
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1