Compound 2-5410-4A
Basic information
- CAS
92339-08-7- Standard SMILES
CC(=O)N(CC(O)C(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I- InChIKey
XRSOBLNKWMHJOB-UHFFFAOYSA-N- Molecular formula
- C36H46I6N6O16
- Average molar mass
- 1,580.2 g/mol
- Monoisotopic mass
- 1,579.7239
Overview
structure given in first source; a non-ionic dimeric ratio 6 contrast medium used in urography; analog of iodixanol
Names & identifiers
- Preferred name
- Compound 2-5410-4A
- IUPAC
- 5-[acetyl-[4-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
Compound 2-5410-4A92339-08-7RefChem:1276355-[acetyl-[4-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamideSCHEMBL93951561,3-Benzenedicarboxamide, 5,5'-((2,3-dihydroxy-1,4-butanediyl)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
Database identifiers
- CAS
92339-08-7- PubChem CID
- 146359
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 359 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 23
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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