Basic information
- Standard SMILES
CCN(CC)CCN(CC)C(=O)NCCS(=O)(=O)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
MTRGJOLPXFNHSD-UHFFFAOYSA-N- Molecular formula
- C23H37N3O10S
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- N-[2-(Diethylamino)ethyl]-N-ethyl-N'-[2-(phenylsulfonyl)ethyl]urea citrate
- IUPAC
- 3-[2-(benzenesulfonyl)ethyl]-1-[2-(diethylamino)ethyl]-1-ethylurea;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
SCHEMBL10684997MTRGJOLPXFNHSD-UHFFFAOYSA-NN-[2-(Diethylamino)ethyl]-N-ethyl-N'-[2-(phenylsulfonyl)ethyl]urea citrate
Database identifiers
- PubChem CID
- 13655129
Properties
Computed structural properties
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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