Basic information
- CAS
73680-84-9- Standard SMILES
CC[N+](C)(CC)CCOC(=O)c1ccc(NC(=O)C[N+](C)(CC)CC)cc1O.[I-].[I-]- InChIKey
UFGDIRDWSOWSAH-UHFFFAOYSA-N- Molecular formula
- C21H37I2N3O4
- Average molar mass
- 649.3 g/mol
- Monoisotopic mass
- 649.08735
Names & identifiers
- Preferred name
- Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)diethylmethyl-, iodide, (2-diethylmethylammonioethyl) ester
- IUPAC
- 2-[4-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-2-hydroxybenzoyl]oxyethyl-diethyl-methylazanium diiodide
Names & synonyms
73680-84-92-(Diethylaminoethyl) 4-(2-diethylaminoacetylamino)salicylate, bismethiodideSalicylic acid, 4-(2-diethylaminoacetamido)-, 2-diethylaminoethyl ester, bismethiodideAmmonium, (4-carboxy-3-hydroxycarbanilinomethyl)diethylmethyl-, iodide, (2-diethylmethylammonioethyl) esterRefChem:318910
Database identifiers
- CAS
73680-84-9- PubChem CID
- 52152
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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