Basic information
- CAS
27467-05-6- Standard SMILES
COc1cccc(CC[NH+](CCOC(=O)Nc2ccccc2)CCOC(=O)Nc2ccccc2)c1OC.[Cl-]- InChIKey
LFLQHEFCEAEWQN-UHFFFAOYSA-N- Molecular formula
- C28H34ClN3O6
- Average molar mass
- 544 g/mol
- Monoisotopic mass
- 543.2136135
Names & identifiers
- Preferred name
- Carbanilic acid, diester with (2,3-dimethoxyphenethyl)iminodiethanol, hydrochloride
- IUPAC
- 2-(2,3-dimethoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
27467-05-6Carbanilic acid, diester with (2,3-dimethoxyphenethyl)iminodiethanol, hydrochlorideEthanol, 2,2'-(2,3-dimethoxyphenethyl)iminodi-, dicarbanilate, hydrochlorideRefChem:332990
Database identifiers
- CAS
27467-05-6- PubChem CID
- 33871
Properties
Computed structural properties
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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