Basic information
- CAS
81045-33-2- Standard SMILES
O=C(NC(CO)CO)c1c(I)c(C(=O)NC(CO)CO)c(I)c(N(CCO)C(=O)CC(=O)N(CCO)c2c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c2I)c1I- InChIKey
RHISTIGVAKTTCM-UHFFFAOYSA-N- Molecular formula
- C35H44I6N6O16
- Average molar mass
- 1,566.2 g/mol
- Monoisotopic mass
- 1,565.7082
Names & identifiers
- Preferred name
- Iodecimol
- IUPAC
- 5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- English name
- Iodecol
- Molecular formula
- C35H44I6N6O16
- Molecular weight
- 1566.16
Names & synonyms
IodecimolIodecol81045-33-23SDG4RSP99DTXSID50230870RefChem:148481DTXCID80153361Iodecimol [INN]5,5'-(Malonylbis((2-hydroxyethyl)imino))bis(N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodoisophthalamide)Iodecimol [INN-Latin]UNII-3SDG4RSP995-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Show more names
Indecimol5,5'-[(1,3-Dioxo-1,3-propanediyl)bis[(2-hydroxyethyl)imino]]bis[N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide]
SCHEMBL380986orb2814908CHEMBL2104392NS00124975T202804Q272579775,5'-{(1,3-Dioxopropane-1,3-diyl)bis[(2-hydroxyethyl)azanediyl]}bis[N~1~,N~3~-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide]
Database identifiers
- CAS
81045-33-2- PubChem CID
- 71247
- DTXSID
DTXSID50230870- ChEMBL
CHEMBL2104392- UNII
- 3SDG4RSP99
- Nikkaji
- J32.878B
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 359 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 24
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- FDA UNII
- 3 SDG4RSP99 · 3SDG4RSP99
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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