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Also known as: 610318-03-1, Rgx-104 hydrochloride, Rgx-104, Rgx-104 hcl, D32013xltx, Sb742881

Molecular Formula

C₃₄H₃₄Cl₂F₃NO₃

Molecular Weight

632.5 g/mol

InChI Key

LCMIYQOJZLRHTO-GJFSDDNBSA-N

FDA UNII

D32013XLTX

1 2D Structure

RGX-104

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid;hydrochloride

2.1.2 InChI

InChI=1S/C34H33ClF3NO3.ClH/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27;/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);1H/t24-;/m1./s1

2.1.3 InChI Key

LCMIYQOJZLRHTO-GJFSDDNBSA-N

2.1.4 Canonical SMILES

CC(CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

2.1.5 Isomeric SMILES

C[C@H](CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

2.2 Other Identifiers

2.2.1 UNII

D32013XLTX

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Sb 742881

2. Sb-742881

3. Sb742881

2.3.2 Depositor-Supplied Synonyms

1. 610318-03-1

2. Rgx-104 Hydrochloride

3. Rgx-104

4. Rgx-104 Hcl

5. D32013xltx

6. Sb742881

7. Rgx104 Hcl

8. Rgx-104 (hydrochloride)

9. Unii-d32013xltx

10. Schembl3975944

11. Abequolixron Hydrochloride

12. Sb-742881 Hydrochloride

13. Amy16847

14. Bcp29451

15. Ex-a2710

16. S8689

17. Ac-31569

18. Hy-111498

19. Cs-0042266

20. Rgx-104 Hydrochloride;rgx-104; Rgx104; Rgx 104

21. (3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2- Diphenylethyl)amino)butoxy)phenyl)acetic Acid Hydrochloride

22. (r)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic Acid Hydrochloride

23. (r)-2-(3-{3-[[2chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methyl-propoxy}-phenyl)acetic Acid Hydrochloride Salt

24. Benzeneacetic Acid, 3-((3r)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)-, Hydrochloride (1:1)

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₄Cl₂F₃NO₃
Molecular Weight	632.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	631.1867838 g/mol
Monoisotopic Mass	631.1867838 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	783
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2