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| Name |
NXY-059 |
EINECS | N/A |
| CAS No. | 168021-79-2 | Density | N/A |
| PSA | 159.91000 | LogP | 2.90730 |
| Solubility | N/A | Melting Point |
>300 °C |
| Formula | C11H15NO7S2.2Na | Boiling Point | N/A |
| Molecular Weight | 381.333 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Benzenedisulfonicacid, 4-[[(1,1-dimethylethyl)imino]methyl]-, N-oxide, disodium salt;1,3-Benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-,disodium salt (9CI);ARL 16556;CPI 22;CXY 059;Cerovive;NXY 059; |
NXY-059 Chemical Properties
Product Name: Disufenton sodium (CAS NO.168021-79-2)
Molecular Formula: C11H13NNa2O7S2
Molecular Weight: 381.333g/mol
Mol File: 168021-79-2.mol
H-Bond Donor: 0
H-Bond Acceptor: 7
Structure Descriptors of Disufenton sodium (CAS NO.168021-79-2):
IUPAC Name: disodium4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
Canonical SMILES: CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+]
Isomeric SMILES: CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]
InChI: InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
InChIKey: XLZOVRYBVCMCGL-BPNVQINPSA-L
NXY-059 Specification
Disufenton sodium , its CAS NO. is 168021-79-2, the synonyms are 1,3-Benzenedisulfonic acid, 4-(((1,1-dimethylethyl)oxidoimino)methyl)-, disodium salt ; ARL 16556 ; CPI 22 ; NXY-059 ; Disodium (tert-butylimino)methyl)benzene-1,3-disulfonate N-oxide ; Disodium 4-(((1,1-dimethylethyl)imino)methyl)benzene-1,3-disulfonate N-oxide ; Disodium 4-tert-butyliminomethyl)benzene-,3-disulfonate N-oxide ; NXY-059 ; UNII-7M1J3HN9VO .
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