THIAMINE DISULFIDE NITRATE_Chemical Cloud Database

THIAMINE DISULFIDE NITRATE

Basic Information
Product Name：	THIAMINE DISULFIDE NITRATE
English Synonyms：	THIAMINE DISULFIDE NITRATE
MDL Number.：	MFCD00060189
H bond acceptor：	12
H bond donor：	4
Smile：	Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCO)\SS/C(=C(\C)/N(Cc2cnc(nc2N)C)C=O)/CCO)/C.[N+](=O)(O)[O-].[N+](=O)(O)[O-]
InChi：	InChI=1S/C24H34N8O4S2.2HNO3/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;22-1(3)4/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);2(H,2,3,4)/b21-15-,22-16+;;
InChiKey：	InChIKey=MSVPLGIAUQGBIU-ZKWTVRRCSA-N

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