R406 ,841290-81-1 _Chemical Cloud Database

R406

Basic Information
Product Name：	R406
CAS：	841290-81-1
English Synonyms：	R406 BENZENESULFONATE ; R406
MDL Number.：	MFCD18385012
H bond acceptor：	11
H bond donor：	3
Smile：	CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C.c1ccc(cc1)S(=O)(=O)O
InChi：	InChI=1S/C22H23FN6O5.C6H6O3S/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;7-10(8,9)6-4-2-1-3-5-6/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30);1-5H,(H,7,8,9)
InChiKey：	InChIKey=UXDRJPYSTZHIOE-UHFFFAOYSA-N

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