Basic information
- CAS
26090-49-3- Standard SMILES
O=C(CCCCCCC(=O)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I)Nc1c(I)c(CN2CCCC2=O)c(I)c(C(=O)O)c1I- InChIKey
DTKCYDVNOMKMKW-UHFFFAOYSA-N- Molecular formula
- C32H32I6N4O8
- Average molar mass
- 1,362 g/mol
- Monoisotopic mass
- 1,361.6488
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(suberoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
- IUPAC
- 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- English name
- 3-[7-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
- Molecular formula
- C32H32I6N4O8
- Molecular weight
- 1362.05
Names & synonyms
Benzoic acid, 3,3'-(suberoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-26090-49-3BRN 15235843,3'-(Suberoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)DTXSID101807213,3'-[(1,8-Dioxooctane-1,8-diyl)bis(azanediyl)]bis{2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid}Benzoic acid, 3,3'-[(1,8-dioxo-1,8-octanediyl)diimino]bis[2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]- (9CI)3-[7-[[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
Database identifiers
- CAS
26090-49-3- PubChem CID
- 33299
- DTXSID
DTXSID10180721- Nikkaji
- J83.519F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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