Basic information
- CAS
19457-00-2- Standard SMILES
CCOc1ccc(C(=O)NCc2ccc(OCC[NH2+]C)cc2)cc1OCC.[Cl-]- InChIKey
FNKYFJUHWHKUSL-UHFFFAOYSA-N- Molecular formula
- C21H29ClN2O4
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1815851
Names & identifiers
- Preferred name
- RO-5-6574 hydrochloride
- IUPAC
- 2-[4-[[(3,4-diethoxybenzoyl)amino]methyl]phenoxy]ethyl-methylazanium chloride
Names & synonyms
Ro 5-6574 hydrochloride19457-00-2UNII-Z057QA6RBJN-(4-(2-Methylaminoethoxy)benzyl)-3,4-diethoxybenzamide hydrochlorideRO-5-6574 hydrochlorideZ057QA6RBJBENZAMIDE, 3,4-DIETHOXY-N-(4-(2-METHYLAMINOETHOXY)BENZYL)-, HYDROCHLORIDEBenzamide, 3,4-diethoxy-N-4-(2-(methylamino)ethoxy)phenylmethyl hydrochlorideBENZAMIDE, 3,4-DIETHOXY-N-(P-(2-(METHYLAMINO)ETHOXY)BENZYL)-, MONOHYDROCHLORIDEBENZAMIDE, 3,4-DIETHOXY-N-((4-(2-(METHYLAMINO)ETHOXY)PHENYL)METHYL)-, HYDROCHLORIDE (1:1)BENZAMIDE, 3,4-DIETHOXY-N-((4-(2-(METHYLAMINO)ETHOXY)PHENYL)METHYL)-, MONOHYDROCHLORIDERefChem:202885
Database identifiers
- CAS
19457-00-2- PubChem CID
- 29612
Properties
Computed structural properties
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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