Details of the Drug Excipient
General Information of Drug Inactive Ingredient (DIG) (ID: E00495)
| DIG Name |
Sorbitan trioleate
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| Synonyms | [2-[(2R,3S,4R)-4-hydroxy-3-[(Z)-octadec-9-enoyl]oxyoxolan-2-yl]-2-[(Z)-octadec-9-enoyl]oxyethyl] (Z)-octadec-9-enoate; SCHEMBL624724 | ||||
| DIG Function |
Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
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| Formula |
C60H108O8
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| Canonical SMILES |
CCCCCCCC/C=C\\CCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC)OC(=O)CCCCCCC/C=C\\CCCCCCCC
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| InChI |
1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55?,59+,60-/m1/s1
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| InChIKey |
PRXRUNOAOLTIEF-XDTJCZEISA-N
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| Physicochemical Properties | Molecular Weight | 957.5 | Topological Polar Surface Area | 108 | |
| XlogP | 21.5 | Complexity | 1230 | ||
| Heavy Atom Count | 68 | Rotatable Bond Count | 53 | ||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 8 | ||