Molecular Identity
ETHOFUMESATE
(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
PubChem CID: 33360
2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate is a methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group. It is a methanesulfonate ester, an ether and a member of 1-benzofurans.
2D Structure
Properties
C13H18O5S
Molecular Formula
286.35
Molecular Weight
g/mol
286.0875
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
70.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
411
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ETHOFUMESATE26225-79-6ProgressTramatNortron (new)2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonateNC 8438CR 14658BURAKOSATDTXSID8034580KEMIRON PLUS5-Benzofuranol, 2-Ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate3051U1Z8KVDTXCID6014580CHEBI:83768
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ETHOFUMESATE
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