N-Desmethylidaverine
Basic information
- CAS
120627-70-5- Standard SMILES
CCN(CCCC(=O)N1CCC(C(=O)NC)CC1)C(C)Cc1ccc(OC)cc1- InChIKey
LOIFKXRQHYPFMC-UHFFFAOYSA-N- Molecular formula
- C23H37N3O3
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 403.28349205
Overview
structure given in first source; the pharmacologically active metabolite of idaverine
Names & identifiers
- Preferred name
- N-Desmethylidaverine
- IUPAC
- 1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N-methylpiperidine-4-carboxamide
- English name
- N-desmethylidaverine
- Molecular formula
- C23H37N3O3
- Molecular weight
- 403.56
Names & synonyms
N-Desmethylidaverine120627-70-5DU-1214031-(4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-oxobutyl)-N-methyl-4-piperidinecarboxamideRefChem:163240SCHEMBL10483415DTXSID709234991-(4-{Ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butanoyl)-N-methylpiperidine-4-carboximidic acid4-Piperidinecarboxamide, 1-(4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-oxobutyl)-N-methyl-4-Piperidinecarboxamide, 1-[4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]-1-oxobutyl]-N-methyl-
Database identifiers
- CAS
120627-70-5- PubChem CID
- 129238
- DTXSID
DTXSID70923499
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Boiling point
- 612.4 · 612.4±55.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 15.92 · 15.92±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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