AG01EOEC

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CAS Number	610318-54-2
Catalog Number	AG01EOEC(AGN-PC-0SYJHS)
Chemical Name	RGX-104 free Acid
IUPAC Name	2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid
InChI	InChI=1S/C34H33ClF3NO3/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)/t24-/m1/s1
InChI Key	ZLJZDYOBXVOTSA-XMMPIXPASA-N
MDL Number	MFCD31726291
Molecular Formula	C34H33ClF3NO3
Molecular Weight	596.0789
SMILES	C(CN(CC1=C(Cl)C(C(F)(F)F)=CC=C1)[C@@H](CCOC2=CC(CC(O)=O)=CC=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4
UNII	Q26B92650V
Synonyms	SB 742881, SB-742881, SB742881, RGX-104 (free Acid), CHEMBL573677, UNII-Q26B92650V, Q26B92650V, RGX-104, 610318-54-2, RGX-104 free Acid, RGX104, SCHEMBL3976801, BDBM50300575, HY-111498A, SB 742881, CS-0080747, (R)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid, Benzeneacetic acid, 3-((3R)-3-(((2-chloro-3-(trifluoromethyl)phenyl)methyl)(2,2-diphenylethyl)amino)butoxy)-, CID10218693, CID 10218693, SB-742881, 610318-03-1,

Complexity	783
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	595.21g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	596.087g/mol
Monoisotopic Mass	595.21g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited