Vernakalant
(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
Molecular Identity
Vernakalant
(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
PubChem CID: 9930049
Vernakalant is an alcohol and a member of phenols.
2D Structure
Properties
C20H31NO4
Molecular Formula
349.50
Molecular Weight
g/mol
349.2253
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
51.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
394
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OCIsomeric SMILES
SMILES: COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OCSynonyms(20)
Vernakalant794466-70-9(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol9G468C8B13(3R)-1-((1R,2R)-2-(2-(3,4-dimethoxyphenyl)ethoxy)cyclohexyl)pyrrolidin-3-olDTXSID602296593-Pyrrolidinol, 1-((1R,2R)-2-(2-(3,4-dimethoxyphenyl)ethoxy)cyclohexyl)-, (3R)-vernakalantum(3r)-1-{(1r,2r)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl}pyrrolidin-3-olRefChem:193993C01BG11DTXCID60152150616-691-2Vemakalant(3r)-1-[(1r,2r)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-3-pyrrolidinol
Data from PubChem (NCBI)
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Drug Network
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