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Dipyron hydrate
SpectraBase Compound ID F4uVS2cFwup
InChI InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1
InChIKey UNZIDPIPYUMVPA-UHFFFAOYSA-M
Mol Weight 351.35276928 g/mol
Molecular Formula C13H18N3NaO5S
Exact Mass 351.086486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mu1mAfpXyi
Name Dipyrone monohydrate
CAS Registry Number 5907-38-0
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Formula C13H18N3NaO5S
InChI InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1
InChIKey UNZIDPIPYUMVPA-UHFFFAOYSA-M
Molecular Weight 351.353 g/mol
SMILES O.C=1(C(N(c2ccccc2)N(C1C)C)=O)N(CS([O-])(=O)=O)C.[Na+]
SPLASH splash10-0a4i-9110000000-7dcb9c4a458a578dc4a9
Source of Spectrum JZ-1992-444-0
Synonyms (Antipyrinylmethylamino)methanesulfonic acid sodium salt monohydrate Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt, monohydrate Dipyron monohydrate metamizole sodium salt monohydrate
Wiley ID 1342441