Basic information
- CAS
26887-04-7- Standard SMILES
O=C(CCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
WIHNMHCKXOKXHG-UHFFFAOYSA-N- Molecular formula
- C24H22I6N2O9
- Average molar mass
- 1,243.9 g/mol
- Monoisotopic mass
- 1,243.5594
Names & identifiers
- Preferred name
- Iotrioxide
- IUPAC
- 3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
- English name
- Lotranic acid
- Molecular formula
- C24H22I6N2O9
- Molecular weight
- 1243.87
Names & synonyms
Iotrioxide3,3'-(Oxybis(2,1-ethanediyloxy(1-oxo-3,1-propanediyl)imino))bis(2,4,6-triiodobenzoic acid)RefChem:148606Iotranic acidAcido iotranicoLotranic acidIotranic acid [INN]Acide iotranique26887-04-74F8YJZ690M3,3'-(Oxybis(ethyleneoxyethylenecarbonylimino))bis(2,4,6-triiodobenzoic acid)Acidum iotranicum
Show more names
LotranicIotranic3,3'-[Oxybis(ethyleneoxyethylenecarbonylimino)]bis[2,4,6-triiodobenzoic acid]Benzoic acid, 3,3'-[oxybis[2,1-ethanediyloxy(1-oxo-3,1-propanediyl)imino]]bis[2,4,6-triiodo-
Acide iotranique [INN-French]Acido iotranico [INN-Spanish]Acidum iotranicum [INN-Latin]BRN 2800219UNII-4F8YJZ690MB 10190Benzoic acid, 3,3'-(oxybis(2,1-ethanediyloxy(1-oxo-3,1-propanediyl)imino))bis(2,4,6-triiodo-3-[3-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 823
Physicochemical properties
- FDA UNII
- 4 F8YJZ690M · 4F8YJZ690M
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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