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2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid-[d4]

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2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid-[d4]

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General Information
Catalog: BLP-006411
CAS: 1794941-90-4
Molecular Formula: C4H6D4N4O3S2
Molecular Weight: 230.30

Chemical Structure

Description	2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid-[d4] is the labelled analogue of 2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid, which is an impurity of Mesna.
Synonyms	2-[[(Guanidino)(imino)methyl]sulfanyl]ethanesulfonic Acid-d4; Mesna impurity B-d4
IUPAC Name	1,1,2,2-tetradeuterio-2-[N-(diaminomethylidene)carbamimidoyl]sulfanylethanesulfonic acid
Related CAS	1391053-66-9 (unlabelled)
Canonical SMILES	C(CS(=O)(=O)O)SC(=N)N=C(N)N
InChI	InChI=1S/C4H10N4O3S2/c5-3(6)8-4(7)12-1-2-13(9,10)11/h1-2H2,(H,9,10,11)(H5,5,6,7,8)/i1D2,2D2
InChI Key	MFFQNMFIVBUMBX-LNLMKGTHSA-N
Solubility	Slightly soluble in Water
Appearance	White to Off-white Solid
Storage	Store at 2-8°C