Evoxac
Basic information
- CAS
124620-88-8- Standard SMILES
CC1OC2(CS1)CN1CCC2CC1- InChIKey
WUTYZMFRCNBCHQ-UHFFFAOYSA-N- Molecular formula
- C10H17NOS
- Average molar mass
- 199.32 g/mol
- Monoisotopic mass
- 199.10308516
Overview
See other relationships...
Names & identifiers
- Preferred name
- Evoxac
- IUPAC
- 2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
- English name
- cevimeline
- Molecular formula
- C10H17NOS
- Molecular weight
- 199.31
Names & synonyms
124620-88-82-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]2'-Methyl-4-azaspiro[bicyclo[2.2.2]octane-2,5'-[1,3]oxathiolane]Evoxac5'-METHYL-4-AZASPIRO[BICYCLO[2.2.2]OCTANE-2,2'-[1,4]OXATHIOLANE]2-methylspiro(1,3-oxathiolane-5,3'-quinuclidine)2-Methylspiro[1,3-oxathiolane-5,3'-quinuclidine]2-methylspiro(1,3-oxathiolan-5,3')quinuclidineSCHEMBL299760CHEMBL168815GTPL9658(2S)-2-Methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
Show more names
Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxathiolane], 2'-Methyl-2'-Methyl-4-azaspiro[bicyclo[2.2.2]octane-2,5'-[1,3]oxathiolane2-Methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane]Spiro[1-azabicyclo[2.2.2]octane-3,5'-[1,3]oxathiolane], 2'-methyl-
DTXSID40274384WUTYZMFRCNBCHQ-UHFFFAOYSA-NBDBM50048353CID 83898EBC-611078LS-13854CS-0001473L001235
Database identifiers
- CAS
124620-88-8- PubChem CID
- 2684
- DTXSID
DTXSID40274384- ChEMBL
CHEMBL168815- Nikkaji
- J621.334K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 308.5 · 308.5±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.40(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 351 · H351-H302+H332-H361
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H351-H302+H332-H361
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501
Related reactions
2 records
Compound notes
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