| CAS Number | 1459687-96-7 |
| Catalog Number | AG01EB1W |
| Chemical Name | GJ103 sodium salt |
| IUPAC Name | sodium;2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate |
| InChI | InChI=1S/C16H14N4O3S.Na/c1-23-12-6-4-5-11(9-12)20-15(13-7-2-3-8-17-13)18-19-16(20)24-10-14(21)22;/h2-9H,10H2,1H3,(H,21,22);/q;+1/p-1 |
| InChI Key | PTFQBXAUOWUATD-UHFFFAOYSA-M |
| MDL Number | MFCD30738009 |
| Molecular Formula | C16H13N4NaO3S |
| Molecular Weight | 364.3542 |
| SMILES | COC=1C=C(C=CC1)N1C(=NN=C1C1=NC=CC=C1)SCC(=O)[O-].[Na+] |
| Synonyms | GJ103 sodium salt,
GJ-103 sodium salt,
1459687-96-7,
GJ103 (sodium salt),
SCHEMBL15264298,
BCP25105,
AKOS032946703,
CS-6289,
HY-101203A,
AK687966,
1459687-96-7 (sodium),,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.355g/mol |
| Monoisotopic Mass | 364.061g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number