| CAS Number | 1052089-16-3 |
| Catalog Number | AG008Y4D(AGN-PC-04SXNP) |
| Chemical Name | Sodium 1-amino-4-(naphthalen-1-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate |
| IUPAC Name | sodium;1-amino-4-(naphthalen-1-ylamino)-9,10-dioxoanthracene-2-sulfonate |
| InChI | InChI=1S/C24H16N2O5S.Na/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27;/h1-12,26H,25H2,(H,29,30,31);/q;+1/p-1 |
| InChI Key | BLOBABILSRPNHR-UHFFFAOYSA-M |
| MDL Number | MFCD09971095 |
| Molecular Formula | C24H15N2NaO5S |
| Molecular Weight | 466.4411 |
| SMILES | NC1=C(C=C(C=2C(C3=CC=CC=C3C(C12)=O)=O)NC1=CC=CC2=CC=CC=C12)S(=O)(=O)[O-].[Na+] |
| Synonyms | PSB 06126,
1052089-16-3,
SCHEMBL792522,
CTK8G2644,
HMS3269D03,
HMS3677H13,
1-AMINO-4-(1-NAPHTHYL)AMINOANTHRAQUINONE-2-SULFONIC ACID SODIUM SALT,
AKOS024457176,
NCGC00167780-01,
J-001360,
1-Amino-4-(1-naphthyl)aminoanthraquinone-2-sulfonicacidsodiumsalt,
sodium 1-amino-4-(naphthalen-1-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,
CHEMBL498423,
BLOBABILSRPNHR-UHFFFAOYSA-M,
|
| Complexity | 861 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.443g/mol |
| Monoisotopic Mass | 466.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number