| CAS Number | 254884-18-9 |
| Catalog Number | AG00C2AJ(AGN-PC-0WAHQ1) |
| Chemical Name | Erdosteine Thioacid Disodium Salt |
| IUPAC Name | disodium;2-[[2-(carboxylatomethylsulfanyl)acetyl]amino]-4-sulfanylbutanoate |
| InChI | InChI=1S/C8H13NO5S2.2Na/c10-6(3-16-4-7(11)12)9-5(1-2-15)8(13)14;;/h5,15H,1-4H2,(H,9,10)(H,11,12)(H,13,14);;/q;2*+1/p-2 |
| InChI Key | MYYRYICRQPFZPU-UHFFFAOYSA-L |
| MDL Number | MFCD28899617 |
| Molecular Formula | C8H11NNa2O5S2 |
| Molecular Weight | 311.2862 |
| SMILES | [Na+].[Na+].[O-]C(=O)CSCC(=O)NC(CCS)C(=O)[O-] |
| Synonyms | Erdosteine Thioacid Disodium Salt,
254884-18-9,
Erdosteine M1,
DTXSID80747709,
ACM254884189,
FT-0667950,
J-016015,
N-[[(Carboxymethyl)thio]acetyl]homocysteine Disodium Salt,
DISODIUM 2-{2-[(CARBOXYLATOMETHYL)SULFANYL]ACETAMIDO}-4-SULFANYLBUTANOATE,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.278g/mol |
| Monoisotopic Mass | 310.987g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number