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Suanfarma Suanfarma

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Technical details about RGX-104, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

2D Structure

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 Weight 632.5 g/mol
Molecular Formula C34H34Cl2F3NO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass631.1867838 g/mol
Monoisotopic Mass631.1867838 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count43
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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