General Information of the Compound
| Compound ID |
CP0773921
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| Compound Name |
SID50106034
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| Synonyms |
(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride
2-Butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride
4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride
55-45-8
A 343
Butyl-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride
CW55R761RE
Carbanilic acid, m-chloro-, ester with (4-hydroxy-2-butynyl)trimethylammonium chloride
MCN A-343
MCN A-343 chloride
McN-A 343
McN-A-343
UNII-CW55R761RE
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| Structure |
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| Formula |
C14H18Cl2N2O2
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| Molecular Weight |
317.216
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| Canonical SMILES |
C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1.[Cl-]
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| InChI |
InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H
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| InChIKey |
CXFZFEJJLNLOTA-UHFFFAOYSA-N
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| CAS |
55-45-8
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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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Clinical Information about the Compound