| CAS Number | 1639792-20-3 |
| Catalog Number | AG01EOPB(AGN-PC-3H46GM) |
| Chemical Name | Saroglitazar Magnesium |
| IUPAC Name | magnesium;(2R)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoate |
| InChI | InChI=1S/2C25H29NO4S.Mg/c2*1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20;/h2*5-14,24H,4,15-17H2,1-3H3,(H,27,28);/q;;+2/p-2/t2*24-;/m11./s1 |
| InChI Key | UJYFZCVPOSZDMK-WLHYKHABSA-L |
| MDL Number | MFCD29075338 |
| Molecular Formula | C50H56MgN2O8S2 |
| Molecular Weight | 901.4232 |
| SMILES | [Mg+2]12(O(CC)[C@H](C(=O)[O-]1)CC1C=CC(OCCN3C(C4C=CC(SC)=CC=4)=CC=C3C)=CC=1)O(CC)[C@H](C(=O)[O-]2)CC1C=CC(OCCN2C(C3C=CC(SC)=CC=3)=CC=C2C)=CC=1 |
| Synonyms | Saroglitazar magnesium,
1639792-20-3,
|
| Complexity | 526 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 900.333g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 63 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 901.429g/mol |
| Monoisotopic Mass | 900.333g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number