| CAS Number | 610318-03-1 |
| Catalog Number | AG01EOEB(AGN-PC-0SYKJ5) |
| Chemical Name | (R)-2-[3-[3-[[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methylpropoxy]phenyl]acetic acid hydrochloride |
| IUPAC Name | 2-[3-[(3R)-3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]butoxy]phenyl]acetic acid;hydrochloride |
| 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 |
| InChI Key | LCMIYQOJZLRHTO-GJFSDDNBSA-N |
| MDL Number | MFCD31657403 |
| Molecular Formula | C34H34Cl2F3NO3 |
| Molecular Weight | 632.5399 |
| SMILES | Cl.ClC1=C(CN([C@@H](CCOC=2C=C(C=CC2)CC(=O)O)C)CC(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1C(F)(F)F |
| UNII | D32013XLTX |
| Synonyms | RGX-104,
UNII-D32013XLTX,
D32013XLTX,
610318-03-1,
RGX-104 hydrochloride,
SCHEMBL3975944,
LCMIYQOJZLRHTO-GJFSDDNBSA-N,
EX-A2710,
HY-111498,
CS-0042266,
(R)-2-(3-(3-((2-chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)butoxy)phenyl)acetic acid hydrochloride,
(r)-2-(3-{3-[[2chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino]-3-methyl-propoxy}-phenyl)acetic acid hydrochloride salt,
|
| Complexity | 783 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 631.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 632.545g/mol |
| Monoisotopic Mass | 631.187g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number