| CAS Number | 869298-22-6 |
| Catalog Number | AG01EEZG |
| Chemical Name | T 26c disodium salt |
| IUPAC Name | disodium;4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxothieno[2,3-d]pyrimidin-1-id-5-yl]methoxymethyl]benzoate |
| InChI | InChI=1S/C24H21N3O6S.2Na/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31;;/h2-9,13H,10-12H2,1H3,(H3,25,26,27,28,29,30,31);;/q;2*+1/p-2 |
| InChI Key | MJSVEIMIMXVRNJ-UHFFFAOYSA-L |
| MDL Number | MFCD31579861 |
| Molecular Formula | C24H19N3Na2O6S |
| Molecular Weight | 523.4687 |
| SMILES | O=C(C1=CC=C(COCC2=CSC3=C2C(N=C(C(NCC4=CC(OC)=CC=C4)=O)N3[Na])=O)C=C1)O[Na] |
| Synonyms | 869298-22-6,
T 26c disodium,
AKOS034831605,
Disodium 4-[[[[2-[[[[3-(Methyloxy)phenyl]methyl]amino]carbonyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl]methyl]oxy]methyl]benzoate,
T 26c disodium salt,
|
| Complexity | 796 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 523.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 523.471g/mol |
| Monoisotopic Mass | 523.079g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number