IOTROLAN ,79770-24-4 _Chemical Cloud Database

IOTROLAN

Basic Information
Product Name：	IOTROLAN
CAS：	79770-24-4
English Synonyms：	ISOVIST ; IOTROLAN
MDL Number.：	MFCD00867930
H bond acceptor：	24
H bond donor：	16
Smile：	CN(c1c(c(c(c(c1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)c2c(c(c(c(c2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I
InChi：	InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)
InChiKey：	InChIKey=XUHXFSYUBXNTHU-UHFFFAOYSA-N
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