| CAS Number | 929915-58-2 |
| Catalog Number | AG01E5V3(AGN-PC-0W2KS8) |
| Chemical Name | 4-((S)-2-((4-(4-Chlorophenoxy)phenoxy)methyl)pyrrolidin-1-yl)butanoic acid hydrochloride |
| IUPAC Name | 4-[(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoic acid;hydrochloride |
| InChI | InChI=1S/C21H24ClNO4.ClH/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25;/h5-12,17H,1-4,13-15H2,(H,24,25);1H/t17-;/m0./s1 |
| InChI Key | UCPVOTSNNAVKNE-LMOVPXPDSA-N |
| MDL Number | MFCD18251532 |
| Molecular Formula | C21H25Cl2NO4 |
| Molecular Weight | 426.3335 |
| SMILES | ClC1=CC=C(OC2=CC=C(OC[C@@H]3CCCN3CCCC(O)=O)C=C2)C=C1.Cl |
| UNII | 28B7Y5Y8EF |
| Synonyms | 929915-58-2,
Dg 051 (HCl salt),
4-((S)-2-((4-(4-chlorophenoxy)phenoxy)Methyl)pyrrolidin-1-yl)butanoic acid hydrochloride,
DG051,
UNII-28B7Y5Y8EF,
28B7Y5Y8EF,
SCHEMBL4314376,
UCPVOTSNNAVKNE-LMOVPXPDSA-N,
MFCD18251532,
AKOS030525382,
CS-6085,
SB18806,
AS-35044,
HY-10825,
(2S)-2-[[4-(4-Chlorophenoxy)phenoxy]methyl]-1-pyrrolidinebutanoicAcidHydrochloride,
(S)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)pyrrolidin-1-yl)butanoic acid hydrochloride,
4-{(S)-2-[4-(4-Chloro-phenoxy)-phenoxymethyl]-pyrrolidin-1-yl}-butyric acid hydrochloride,
4-{(S)-2-[4-(4-chloro-phenyoxy)-phenoxymethyl]-pyrrolidin-1-yl}-butyric acid HCl salt,
DG-051.HCL,
DG-051,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 426.334g/mol |
| Monoisotopic Mass | 425.116g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number