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Arecoline Hydrobromide

PubChem CID: 9301

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Compound Synonyms Arecoline hydrobromide, 300-08-3, ARECOLINE HBr, Taeniolin, Arecoline bromide, Methyl 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide, Arekolinhydrobromid, Arekolinhydrobromid [German], Arecoline (hydrobromide), EINECS 206-087-3, Arecoline hydrobromide [NF], MFCD00039041, NSC 31750, NSC-31750, UNII-24S79B9CX7, 24S79B9CX7, Methyl N-methyl-1,2,5,6-tetrahydronicotinate hydrobromide, N-Methyltetrahydronicotinic acid methyl ester hydrobromide, Methyl 1,2,5,6-tetrahydro-1-methylnicotinate, hydrobromide, DTXSID9075379, methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate,hydrobromide, ARECOLINE HYDROBROMIDE [MI], 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide, 3-Pyridinecarboxylicacid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide, NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, METHYL ESTER, HYDROBROMIDE, MLS000028840, NSC31750, SR-01000075307, SMR000058258, Esterase, Prestwick_958, methyl 1,2,5,6-tetrahydro-1-methylnicotinate hydrobromide, methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrobromide, Areciline Hydrochloride,(S), MLS002222282, ARECOLINE, HYDROBROMIDE, SCHEMBL527735, SPECTRUM1500680, CHEMBL449209, DTXCID6038112, HMS1569A06, HMS1921C10, Pharmakon1600-01500680, BCP02923, HY-B0489, Tox21_500049, CCG-38354, NSC757418, s2614, AKOS009031332, AC-8048, BCP9000314, FA17972, LP00049, NSC-757418, PS-7647, WLN: T6N CUTJ A1 CVO1 & GH, NCGC00093563-01, NCGC00093563-02, NCGC00093563-03, NCGC00093563-04, NCGC00093563-05, NCGC00093563-06, NCGC00260734-01, SY057191, BCP0726000295, A0523, EU-0100049, NS00079747, SW197045-3, EN300-21253, A 6134, A10820, SR-01000075307-1, SR-01000075307-3, SR-01000075307-8, Q27253878, SR-01000075307-10, SR-01000075307-11, Methyl N-methyl-1,5,6-tetrahydronicotinate hydrobromide, Z104494834, Arecoline hydrobromide, VETRANAL(TM), analytical standard, Methyl 1,5,6-tetrahydro-1-methylnicotinate, hydrobromide, Nicotinic acid,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide, 1-Methyl-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid methyl ester hydrobromide, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide (9CI), 3-Pyridinecarboxylic acid,2,5,6-tetrahydro-1-methyl-, methyl ester, hydrobromide, 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid methyl ester hydrobromide, 1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic ac id methyl ester hydrobromide, Arecaidine methyl ester hydrobromide, METHYL 1,2,5,6-TETRAHYDRO-1-METHYL-3-PYRIDINECARBOXY, 206-087-3
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Inchi Key AXOJRQLKMVSHHZ-UHFFFAOYSA-N
Rotatable Bond Count 2.0
Synonyms Carboxyl esterase, Esterase from porcine liver
Heavy Atom Count 12.0
Compound Name Arecoline Hydrobromide
Kingdom Organic compounds
Description Esterase belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Esterase can be found in a number of food items such as fig, cabbage, wild leek, and white cabbage, which makes esterase a potential biomarker for the consumption of these food products. A wide range of different esterases exist that differ in their substrate specificity, their protein structure, and their biological function .
Exact Mass 235.021
Formal Charge 0.0
Monoisotopic Mass 235.021
Isotope Atom Count 0.0
Molecular Complexity 187.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 236.11
Database Name fooddb_chem_all;hmdb_chem_all;pubchem
Covalent Unit Count 2.0
Defined Atom Stereocenter Count 0.0
Iupac Name methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate, hydrobromide
Total Atom Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2, /h4H,3,5-6H2,1-2H3, 1H
Smiles CN1CCC=C(C1)C(=O)OC.Br
Superclass Alkaloids and derivatives
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Alkaloids and derivatives
Molecular Formula C8H14BrNO2

  • 1. Outgoing r'ship FOUND_IN to/from Allium Ampeloprasum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all
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