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107220-28-0 molecular structure
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5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane] hydrochloride

ChemBase ID: 163876
Molecular Formular: C10H18ClNOS
Molecular Mass: 235.77402
Monoisotopic Mass: 235.07976288
SMILES and InChIs

SMILES:
C1CC2CCN1CC12OC(SC1)C.Cl
Canonical SMILES:
CC1SCC2(O1)CN1CCC2CC1.Cl
InChI:
InChI=1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H
InChIKey:
SURWTGAXEIEOGY-UHFFFAOYSA-N

Cite this record

CBID:163876 http://www.chembase.cn/molecule-163876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane] hydrochloride
IUPAC Traditional name
cevimeline hydrochloride
Synonyms
(+/-)-cis-2-Methylspiro[1,3-oxathiolane-5,3’-quinuclidine
AF-102B
SNI-2011
Evoxac
Cevimeline Hydrochloride Salt
CAS Number
107220-28-0
PubChem SID
162258011
PubChem CID
9837584

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC C283500 external link Add to cart
PubChem 9837584 external link
Data Source Data ID Price
TRC
C283500 external link Add to cart Please log in.
Data Source Data ID
PubChem 9837584 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.954783  LogD (pH = 7.4) -0.22276455 
Log P 0.9964063  Molar Refractivity 55.9221 cm3
Polarizability 22.251616 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
195-197°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C283500 external link
A novel muscarinic M1 and M3 receptor agonist. Sialagogue.

REFERENCES

REFERENCES

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  • • Masunaga, H., et al.: Eur. J. Pharmacol., 339, 1 (1997)
  • • Arisawa, H., et al.: Arzneim.-Forsch., 52, 14 (1997)
  • • Yasuda, H., et al.: Clin. Drug Invest., 22, 67 (1997)
  • • Ono, M., et al.: Am. J. Ophthalmol., 138, 6 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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