General Information of the Compound
| Compound ID |
CP0054630
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| Compound Name |
((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-ylmethyl)-trimethyl-ammonium
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| Synonyms |
(+)-(2S,4R,5S)-Muscarine
(+)-Muscarine
2-Furanmethanaminium, tetrahydro-4-hydroxy-N,N,N,5-tetramethyl-, (2S-(2alpha,4beta,5alpha))-
300-54-9
7T101UWZ5W
Ammonium, trimethyl(tetrahydro-4-hydroxy-5-methylfurfuryl)-
CHEBI:7034
CHEMBL1255785
CHEMBL12587
CHEMBL292911
D-ribo-Hexitol, 2,5-anhydro-1,4,6-trideoxy-6-(trimethyl)ammonio)-
EINECS 206-094-1
L-(+)-Muscarine
MUSCARINE
MUSCARINE CHLORIDE
Muscarin
Muscarine
Muscarine (alkaloid)
Muscarine (the alkaloid)
Muskarin
UNII-7T101UWZ5W
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| Structure |
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| Formula |
C9H20NO2+
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| Molecular Weight |
174.264
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| Canonical SMILES |
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
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| InChI |
InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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| InChIKey |
UQOFGTXDASPNLL-XHNCKOQMSA-N
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| CAS |
300-54-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Clinical Information about the Compound