Structure

InChI Key XUHXFSYUBXNTHU-UHFFFAOYSA-N
Smile CN(C(=O)CC(=O)N(C)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H48I6N6O18
Molecular Weight 1626.24
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Side Effects from Label

Cross References

Resources Reference
CAS NUMBER 79770-24-4
ChEBI 31715
ChEMBL CHEMBL1200555
DrugBank DB09487
DrugCentral 1470
EPA CompTox DTXSID0023165
FDA SRS 16FL47B687
PubChem 3738
SureChEMBL SCHEMBL25535