General Information of the Compound
| Compound ID |
CP0018455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester;hydrobromide
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester
63-75-2
Arecaidine methyl ester
Arecaline
Arecholin
Arecholine
Arecolin
Arecoline
Arecoline base
Arekolin
C8H13NO2
CCRIS 7688
Methyl 1,2,5,6-tetrahydro-1-methylnicotinate
Methyl N-methyl-1,2,5,6-tetrahydronicotinate
Methyl N-methyltetrahydronicotinate
Methylarecaiden
Methylarecaidin
N-Methyltetrahydronicotinic acid, methyl ester
NSC 56321
UNII-4ALN5933BH
arecoline
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C8H13NO2
|
||||||||||||||||||
| Molecular Weight |
155.197
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=CCCN(C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJJPJSXJAXAIPN-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
63-75-2
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT03415, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT06153, Muscarinic acetylcholine receptor M3
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