Basic information
- CAS
37938-69-5- Standard SMILES
CCN(C(=O)CCC(=O)O)c1c(I)cc(I)c(OC)c1I- InChIKey
LDCZXAJNAWDRPK-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO4
- Average molar mass
- 628.97 g/mol
- Monoisotopic mass
- 628.8057
Names & identifiers
- Preferred name
- Butanoic acid, 4-(ethyl(2,4,6-triiodo-3-methoxyphenyl)amino)-4-oxo-
- IUPAC
- 4-(N-ethyl-2,4,6-triiodo-3-methoxyanilino)-4-oxobutanoic acid
Names & synonyms
BRN 3038759N-Ethyl-3'-methoxy-2',4',6'-triiodosuccinanilic acid37938-69-5DTXSID90191375N-Aethyl-N-(2,4,6-trijod-3-methoxyphenyl)-succinamidsaeure [German]Butanoic acid, 4-(ethyl(2,4,6-triiodo-3-methoxyphenyl)amino)-4-oxo-N-Aethyl-N-(2,4,6-trijod-3-methoxyphenyl)-succinamidsaeureSuccinanilic acid, N-ethyl-3'-methoxy-2',4',6'-triiodo-RefChem:330885DTXCID00113866Butanoic acid, 4-(ethyl(2,4,6-triiodo-3-methoxyphenyl)amino)-4-oxo-(9CI)4-[ethyl(2,4,6-triiodo-3-methoxyphenyl)amino]-4-oxobutanoic acid
Show more names
Butanoic acid, 4-(ethyl(2,4,6-triiodo-3-methoxyphenyl)amino)-4-oxo- (9CI)
Database identifiers
- CAS
37938-69-5- PubChem CID
- 216976
- DTXSID
DTXSID90191375- Nikkaji
- J61.377K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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