Iodocholesterol (131I)
(3S,8S,9S,10S,13R,14S,17R)-10-((131I)iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Identity
Iodocholesterol (131I)
(3S,8S,9S,10S,13R,14S,17R)-10-((131I)iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID: 450510
Iodocholesterol (131I) is a cholestanoid.
2D Structure
Properties
C27H45IO
Molecular Formula
516.60
Molecular Weight
g/mol
516.2532
Exact Mass
Da
9.3
XLogP
Above Lipinski threshold
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
612
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)CI)CIsomeric SMILES
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C[131I])CSynonyms(20)
Iodocholesterol (131I)Iodocholesterol I 131Iodocholesterol I-13142220-21-3Iodocholesterol I 131 [USAN]I-131 iodocholesterolIodocholesterol, i-131C5F4248GPJIODOCHOLESTEROL (131 I)(3S,8S,9S,10S,13R,14S,17R)-10-((131I)iodanylmethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olIodocholesterol I 131 (USAN)Iodocholesterol (131I) (INN)Iodocholesterol (131I) [INN]Iodocolesterol (131 I)Iodocholesterolum (131 I)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Iodocholesterol (131I)
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