Ecipramidil

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Basic information

CAS: 64552-16-5
Standard SMILES: COc1cc(C(=O)OCCCNCC2CC2(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIKey: SDOJJWYOCLRIRI-UHFFFAOYSA-N
Molecular formula: C29H33NO5
Average molar mass: 475.6 g/mol
Monoisotopic mass: 475.23587315

Names & identifiers

Preferred name: Ecipramidil
IUPAC: 3-[(2,2-diphenylcyclopropyl)methylamino]propyl 3,4,5-trimethoxybenzoate
English name: Ecipramidil
Molecular formula: C29H33NO5
Molecular weight: 475.58

Names & synonyms

EcipramidilEcipramidil [INN]64552-16-5UNII-6EJ6I446496EJ6I446493-(((2,2-Diphenylcyclopropyl)methyl)amino)propyl 3,4,5-trimethoxybenzoate3-{[(2,2-diphenylcyclopropyl)methyl]amino}propyl 3,4,5-trimethoxybenzoateecipramidilumRefChem:136251(+-)-ECIPRAMIDILECIPRAMIDIL, (+-)-3-[(2,2-diphenylcyclopropyl)methylamino]propyl 3,4,5-trimethoxybenzoate

Show more names

N-(2,2-Diphenylcyclopropylmethyl)-γ-aminopropyl-3,4,5-trimethoxy benzoate3,4,5-Trimethoxybenzoic acid 3-[[(2,2-diphenylcyclopropyl)methyl]amino]propyl esterBenzoic acid, 3,4,5-trimethoxy-, 3-[[(2,2-diphenylcyclopropyl)methyl]amino]propyl ester

(+/-)-ECIPRAMIDILSCHEMBL2108221CHEMBL2107590ECIPRAMIDIL, (+/-)-DTXSID70867081NS00125257Q272647103-(((2,2-Diphenylcyclopropyl)methyl)amino)propyl 3,4,5-trimethoxybenzoate.

Database identifiers

CAS: 64552-16-5
PubChem CID: 208906
DTXSID: DTXSID70867081
ChEMBL: CHEMBL2107590
UNII: 6EJ6I44649
Nikkaji: J19.858G

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 35
Formal charge: 0
Complexity: 613

Physicochemical properties

Boiling point: 576.5 · 576.5±29.0 °C(Predicted)
Density: 1.149 · 1.149±0.06 g/cm3(Predicted)
pka: 10.27 · 10.27±0.19(Predicted)
FDA UNII: 6 EJ6I44649 · 6EJ6I44649

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Compound notes

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