| Chemical & Physical Properties | |
|---|---|
| CAS Number | 79770-24-4 |
| Catalog No. | 2A-9010996 |
| Chinese Name | 碘曲仑 |
| Synonyms | DL-3117; Iotrol; Isovist; iotrolan; Iotrovist; SH 437 |
| Molecular Formula | C37H48I6N6O18 |
| Molecular Weight | 1626.23 |
| Purity | 98 |
| Density | 2.316 g/cm3 |
| Boiling Point | 1390.4ºC at 760 mmHg |
| Water Solubility | Very soluble in water, freely soluble in dimethyl |
| Storage Condition | 2-8°C |
| Application | Iotrolan is a traditional contrast agent. Iotrolan had no effect on NP cell viability or induced apoptosis. |
| SMILES | Ic1c(c(c(c(c1C(=O)NC(C(O)CO)CO)I)C(=O)NC(C(O)CO)CO)I)N(C)C(=O)CC(=O)N(C)c2c(c(c(c(c2I)C(=O)NC(C(O)CO)CO)I)C(=O)NC(C(O)CO)CO)I |
| 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) |
| InChI Key | XUHXFSYUBXNTHU-UHFFFAOYSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/10996_1_79770_24_4.pdf |
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