| CAS Number | 193884-53-6 |
| Catalog Number | AG00ARUP(AGN-PC-0QMF5T) |
| Chemical Name | APS-5 |
| IUPAC Name | disodium;[(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate |
| InChI | InChI=1S/C21H17ClNO4PS.2Na/c1-23-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)23)21(27-28(24,25)26)29-15-12-10-14(22)11-13-15;;/h2-13H,1H3,(H2,24,25,26);;/q;2*+1/p-2 |
| InChI Key | NDPRDNBCONYNMF-UHFFFAOYSA-L |
| MDL Number | MFCD29035194 |
| Molecular Formula | C21H15ClNNa2O4PS |
| Molecular Weight | 489.8194 |
| SMILES | O=P([O-])([O-])OC(SC1=CC=C(Cl)C=C1)=C2C3=C(C=CC=C3)N(C)C4=CC=CC=C24.[Na+].[Na+] |
| Synonyms | 193884-53-6,
Sodium ((4-chlorophenyl)thio)(10-methylacridin-9(10H)-ylidene)methyl phosphate,
AKOS027336634,
disodium;[(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methyl] phosphate,
Phosphoric acid disodium 10-methylacridine-9-ylidene(4-chlorophenylthio)methyl ester salt,
CID9826873,
Disodium [(4-chlorophenyl)sulfanyl-(10-methylacridin-9-ylidene)methoxy]-dioxido-oxo-phosphorane,
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| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 488.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.817g/mol |
| Monoisotopic Mass | 488.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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