R 76186
Basic information
- CAS
122866-79-9- Standard SMILES
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCC(=O)N2CCC(N(C)C)CC2)C[C@@H]1OC- InChIKey
YEXQFGBCXUNVRL-GGAORHGYSA-N- Molecular formula
- C25H40ClN5O4
- Average molar mass
- 510.1 g/mol
- Monoisotopic mass
- 509.2768825
Overview
selective & potent 5-HT(4) receptor agonist; structure given in first source
Names & identifiers
- Preferred name
- R 76186
- IUPAC
- 4-amino-5-chloro-N-[(3S,4R)-1-[4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
Names & synonyms
122866-79-9R 76186R-76186Benzamide, 4-amino-5-chloro-N-(1-(4-(4-(dimethylamino)-1-piperidinyl)-4-oxobutyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis-RefChem:178429PDSP1_0016194-amino-5-chloro-N-[(3S,4R)-1-[4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamideDTXSID10924304PDSP2_0016034-Amino-5-chloro-N-(1-{4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutyl}-3-methoxypiperidin-4-yl)-2-methoxybenzene-1-carboximidic acid4-Amino-5-chloro-N-[(3S,4R)-1-{4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutyl}-3-methoxypiperidin-4-yl]-2-methoxybenzene-1-carboximidic acid
Database identifiers
- CAS
122866-79-9- PubChem CID
- 129787
- DTXSID
DTXSID10924304- Nikkaji
- J1.158.496I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 691
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Compound notes
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