Iosimide
Basic information
- CAS
79211-10-2- Standard SMILES
O=C(c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I)N(CCO)CCO- InChIKey
KZYHGCLDUQBASN-UHFFFAOYSA-N- Molecular formula
- C21H30I3N3O9
- Average molar mass
- 849.2 g/mol
- Monoisotopic mass
- 848.9116
Overview
Iosimide is a small molecule drug. Iosimide has a monoisotopic molecular weight of 848.91 Da.
Names & identifiers
- Preferred name
- Iosimide
- IUPAC
- 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3,5-tricarboxamide
- English name
- iosimide
- Molecular formula
- C21H30I3N3O9
- Molecular weight
- 0
Names & synonyms
IOSIMIDEUnivistIosimida79211-10-2Iosimidum3EL4NLE563ZK 36699ZK-36699DTXSID20229579N,N,N',N',N'',N''-Hexakis(2-hydroxyethyl)-2,4,6-triiodo-1,3,5-benzenetricarboxamideiosimidRefChem:148603
Show more names
1,3,5-Benzenetricarboxamide,N1,N1,N3,N3,N5,N5-hexakis(2-hydroxyethyl)-2,4,6-triiodo-
SHL-436CDTXCID20152070279-110-8Iosimide [INN]Iosimidum [Latin]Iosimida [Spanish]UNII-3EL4NLE563EINECS 279-110-8
Database identifiers
- CAS
79211-10-2- PubChem CID
- 60911
- DTXSID
DTXSID20229579- ChEMBL
CHEMBL2105004- UNII
- 3EL4NLE563
- EC Number
- 279-110-8
- Nikkaji
- J32.524D
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- FDA UNII
- 3 EL4NLE563 · 3EL4NLE563
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Related reactions
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Compound notes
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