AG001XR7

168021-79-2 | 1,3-Benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-, sodium salt (1:2)

AG001XR7

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CAS Number	168021-79-2
Catalog Number	AG001XR7(AGN-PC-0Q96NL)
Chemical Name	1,3-Benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-, sodium salt (1:2)
IUPAC Name	disodium;4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
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-;;
InChI Key	XLZOVRYBVCMCGL-BPNVQINPSA-L
MDL Number	MFCD09833648
Molecular Formula	C22H26N2Na4O14S4
Molecular Weight	762.6659
SMILES	[O-]S(C1=C(/C=[N+]([O-])/C(C)(C)C)C=CC(S([O-])(=O)=O)=C1)(=O)=O.[Na+].[Na+][O-]S(C1=C(/C=[N+]([O-])/C(C)(C)C)C=CC(S([O-])(=O)=O)=C1)(=O)=O.[Na+].[Na+]
Synonyms	Cerovive, disodium 4-((tert-butylimino)-methyl)benzene-1,3-disulfonate N-oxide, disufenton sodium, HPN-07, NXY 059, NXY-059, NXY059, Disufenton sodium, Cerovive, 168021-79-2, NXY-059, Nxy 059, CPI 22, ARL 16556, Cerovive(NXY-059), Disufenton sodium [INN], Disufenton sodium (USAN/INN), NXY-059 (Disufenton sodium), Disodium (tert-butylimino)methyl)benzene-1,3-disulfonate N-oxide, 1,3-benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-,disodium salt, D03875, Cerovive (nxy-059), 168021-77-0, Disodium 4-tert-butyliminomethyl)benzene-,3-disulfonate N-oxide, C11H13NNa2O7S2, SCHEMBL678345, AC1O5T59, CPI-22, CHEMBL1627056, AOB6393, CXY-059, OKN-007, QCR-204, 1,3-Benzenedisulfonic acid, 4-(((1,1-dimethylethyl)imino)methyl)-, N-oxide, disodium salt, 1,3-Benzenedisulfonic acid, 4-(((1,1-dimethylethyl)oxidoimino)methyl)-, disodium salt, Disodium 4-(((1,1-dimethylethyl)imino)methyl)benzene-1,3-disulfonate N-oxide, HMS3678O19, NXY059/NXY-059/, ABP000731, ARL-16556, MFCD09833648, s6002, AKOS015890930, AN-6909, AK174793, AS-16949, BC224422, HPN-07, >=98% (HPLC), AB0035838, LS-187003, SW219403-1, Y0249, A25442, S-7712, I01-8749, J-010424, sodium 4-((tert-butyloxidoimino)methyl)benzene-1,3-disulfonate, sodium (Z)-4-((tert-butyloxidoimino)methyl)benzene-1,3-disulfonate, disodium 4-[(Z)-[tert-butyl(oxido)iminio]methyl]benzene-1,3-disulfonate, sodium (Z)-4-((tert-butyloxidoazanylidene)methyl)benzene-1,3-disulfonate, sodium 4-(2-tert-butyl-1,2-oxaziridin-3-yl)benzene-1,3-disulfonate, 1,3-Benzenedisulfonic acid, 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-, sodium salt (1:2), 4-[[(1,1-Dimethylethyl)oxoimino]methyl]-1,3-benzenedisulfonic acid disodium salt, disodium 4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate, Disodium,4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate, Sodium 4-[[(1,1-dimethylethyl)oxidoimino]methyl]-1,3-benzenedisulfonate (2:1), UNII-7M1J3HN9VO, C11H15NO7S2.2Na, Disufenton sodium [USAN:INN], HPN-07, NXY059, Disufenton sodium (NXY-059), CXY 059, C11-H15-N-O7-S2.2Na, CID6440181, B2146, A10663, C120851, disodium 4-((oxido-tert-butyl-azaniumylidene)methyl)benzene-1,3-disulfonate, disodium 4-((tert-butylimino)-methyl)benzene-1,3-disulfonate N-oxide,

Complexity	578
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	380.993g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	381.325g/mol
Monoisotopic Mass	380.993g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	160A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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