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N-Desmethyl L-Ergothioneine Methyl Ester-[d6]

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General Information
Catalog: BLP-004964
CAS: 1795785-97-5
Molecular Formula: C9H9D6N3O2S
Molecular Weight: 235.34

Chemical Structure

Synonyms	N-Desmethyl L-Ergothioneine-d6 Methyl Ester; (S)-α-(Dimethylamino)-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic-d6 Acid Methyl Ester; N,N-Dimethyl-2-mercapto-L-histidine-d6 Methyl Ester
IUPAC Name	methyl (2S)-2-[bis(trideuteriomethyl)amino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate
Related CAS	162138-71-8 (unlabelled)
Canonical SMILES	CN(C)C(CC1=CNC(=S)N1)C(=O)OC
InChI	InChI=1S/C9H15N3O2S/c1-12(2)7(8(13)14-3)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2,10,11,15)/t7-/m0/s1/i1D3,2D3
InChI Key	RRTOEEXBIOEGRQ-HRHRGYCUSA-N
Solubility	Soluble in Dichloromethane, Methanol
Appearance	Beige Solid
Storage	Store at 2-8°C