Home > Compound List > Compound details
6027-91-4 molecular structure
click picture or here to close

methyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide

ChemBase ID: 169817
Molecular Formular: C7H12BrNO2
Molecular Mass: 222.07968
Monoisotopic Mass: 221.00514063
SMILES and InChIs

SMILES:
C1CNCC(=C1)C(=O)OC.Br
Canonical SMILES:
COC(=O)C1=CCCNC1.Br
InChI:
InChI=1S/C7H11NO2.BrH/c1-10-7(9)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
InChIKey:
DOXOETUWVNVADB-UHFFFAOYSA-N

Cite this record

CBID:169817 http://www.chembase.cn/molecule-169817.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide
IUPAC Traditional name
methyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide
Synonyms
1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Methyl Ester Hydrobromide
1,2,5,6-Tetrahydronicotinic Acid Methyl Ester Hydrobromide
3-(Methoxycarbonyl)-1,2,5,6-tetrahydropyridine Hydrobromide
Guvacine Methyl Ester Hydrobromide
Methyl 1,2,5,6-Tetrahydro-3-pyridinecarboxylate Hydrobromide
Methyl 1,2,5,6-Tetrahydronicotinate Hydrobromide
Norarecoline
Guvacoline Hydrobromide
1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Hydrochloride
1,2,5,6-Tetrahydro- nicotinic Acid Hydrochloride
Guvacine Hydrochloride
CAS Number
6027-91-4
17210-51-4
PubChem SID
162263949
PubChem CID
15560296

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15560296 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6797206  LogD (pH = 7.4) -1.0982035 
Log P 0.26575473  Molar Refractivity 38.5663 cm3
Polarizability 14.952159 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
133-134°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - G876400 external link
A GABA uptake inhibitor. It is used for the treatment of neurodegenerative diseases.
Toronto Research Chemicals - G876500 external link
A muscarinic receptor used as nootropic agent.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lesnefsky, E., et al.: J. Biol. Chem., 279, 47961 (2004)
  • • Fukuda, R., et al.: Cell , 129, 111 (2004)
  • • Nadtochiy, S., et al.: Biochem. J., 395, 611 (2004)
  • • Wolf-Pflugmann, M., et al.: Arzneim-Forsch./Drug Res., 39(1)
  • • 5, 539 (1)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle