
CAS Number141660-63-1
SynonymsIofratol; Iofratol [INN]; N,N''-(2-Hydroxytrimethylene)bis(N'-(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-((S)-lactamido)isophthalamide)
Molecular FormulaC31H36I6N6O13
Molecular Weight1462.08000
Purity98.00%
Density2.395g/cm3
Boiling Point1093.3ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 141660-63-1 |
| Catalog No. | 2A-9010973 |
| Chinese Name | 碘拉醇 |
| Synonyms | Iofratol; Iofratol [INN]; N,N''-(2-Hydroxytrimethylene)bis(N'-(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-((S)-lactamido)isophthalamide) |
| Molecular Formula | C31H36I6N6O13 |
| Molecular Weight | 1462.08000 |
| Purity | 98.00 |
| Density | 2.395g/cm3 |
| Boiling Point | 1093.3ºC at 760mmHg |
| SMILES | CC(O)C(=O)Nc1c(I)c(C(=O)NCC(O)CNC(=O)c2c(I)c(NC(=O)C(C)O)c(I)c(C(=O)NC(CO)CO)c2I)c(I)c(C(=O)NC(CO)CO)c1I |
| InChI | InChI=1S/C31H36I6N6O13/c1-9(48)26(51)42-24-20(34)14(18(32)16(22(24)36)30(55)40-11(5-44)6-45)28(53)38-3-13(50)4-39-29(54)15-19(33)17(31(56)41-12(7-46)8-47)23(37)25(21(15)35)43-27(52)10(2)49/h9-13,44-50H,3-8H2,1-2H3,(H,38,53)(H,39,54)(H,40,55)(H,41,56)(H,42,51)(H,43,52)/t9-,10+,13? |
| InChI Key | NNZBBKHCMKTQJQ-HWYHXSKPSA-N |
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