Home > Compound List > Compound details
1177501-27-7 molecular structure
click picture or here to close

ethyl 1-[2-(oxolan-2-ylmethoxy)ethyl]-4-phenylpiperidine-4-carboxylate hydrochloride

ChemBase ID: 169511
Molecular Formular: C21H32ClNO4
Molecular Mass: 397.93608
Monoisotopic Mass: 397.20198619
SMILES and InChIs

SMILES:
C1C(CCN(C1)CCOCC1CCCO1)(C(=O)OCC)c1ccccc1.Cl
Canonical SMILES:
CCOC(=O)C1(CCN(CC1)CCOCC1CCCO1)c1ccccc1.Cl
InChI:
InChI=1S/C21H31NO4.ClH/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19;/h3-5,7-8,19H,2,6,9-17H2,1H3;1H
InChIKey:
RNKWGTCIHDAZMV-UHFFFAOYSA-N

Cite this record

CBID:169511 http://www.chembase.cn/molecule-169511.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-[2-(oxolan-2-ylmethoxy)ethyl]-4-phenylpiperidine-4-carboxylate hydrochloride
IUPAC Traditional name
furethidine hydrochloride
Synonyms
4-Phenyl-1-[2-[(tetrahydro-2-furanyl)methoxy]ethyl]-4-piperidinecarboxylic Acid Ethyl Ester Hydrochloride
4-Phenyl-1-[2-[(tetrahydrofurfuryl)oxy]ethyl]isonipecotic Acid Ethyl Ester Hydrochloride
Furethidine Hydrochloride
CAS Number
1177501-27-7
PubChem SID
162263643
PubChem CID
11971873

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F864130 external link Add to cart
PubChem 11971873 external link
Data Source Data ID Price
TRC
F864130 external link Add to cart Please log in.
Data Source Data ID
PubChem 11971873 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.38171428  LogD (pH = 7.4) 2.1432543 
Log P 2.8274138  Molar Refractivity 101.7819 cm3
Polarizability 40.166927 Å3 Polar Surface Area 48.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F864130 external link
Controlled substance (opiate). The drug has an addiction-forming or addiction-sustaining liability similar to Morphine.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bayer, I., et al.: Acta Pharmaceutica Hungarica, 28, 216 (1958)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle