| CAS Number | 572874-50-1 |
| Catalog Number | AG00EM0J(AGN-PC-0SNBV4) |
| Chemical Name | MK 0524 sodium salt |
| IUPAC Name | sodium;2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetate |
| InChI | InChI=1S/C21H19ClFNO4S.Na/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12;/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26);/q;+1/p-1/t13-;/m1./s1 |
| InChI Key | DWCYUNBVZHNVET-BTQNPOSSSA-M |
| MDL Number | MFCD17392565 |
| Molecular Formula | C21H18ClFNNaO4S |
| Molecular Weight | 457.8781 |
| SMILES | [Na]OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F |
| Synonyms | MK 0524 sodium salt,
572874-50-1,
CHEMBL218415,
[(R)-4-(4-chloro-benzyl)-7-fluoro-5-methanesulfonyl-1,2,3,4-tetrahydro-cyclopenta[b]indol-3-yl]-acetate sodium salt,
Laropiprant,
571170-77-9,
|
| Complexity | 727 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 457.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 457.876g/mol |
| Monoisotopic Mass | 457.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number