Cevimeline hydrochlorideProduct ingredient for Cevimeline

Name
Cevimeline hydrochloride
Drug Entry
Cevimeline

Cevimeline is a parasympathomimetic agent that act as an agonist at the muscarinic acetylcholine receptors M1 and M3. It is indicated by the Food and Drug Administration for the treatment of dry mouth associated with Sjögren's syndrome.

Accession Number
DBSALT000805
Structure
Synonyms
Cevimeline HCl
External IDs
AF102B / FKS-508 / SND-5008 / SNI-2011 / SNK-508
UNII
P81Q6V85NP
CAS Number
153504-70-2
Weight
Average: 489.56
Monoisotopic: 488.1700908
Chemical Formula
C20H38Cl2N2O3S2
InChI Key
ZSTLCHCDLIUXJE-ZGBAEQJLSA-N
InChI
InChI=1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8-,10-;;;/m00.../s1
IUPAC Name
bis((2S,5'S)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane]) hydrate dihydrochloride
SMILES
O.Cl.Cl.[H][C@]1(C)O[C@]2(CS1)CN1CCC2CC1.[H][C@]1(C)O[C@]2(CS1)CN1CCC2CC1
Human Metabolome Database
HMDB0061079
PubChem Compound
83898
ChemSpider
32700696
ChEBI
775218
PharmGKB
PA164754754
Wikipedia
Cevimeline
Predicted Properties
PropertyValueSource
Water Solubility2.41 mg/mLALOGPS
logP1.46ALOGPS
logP1Chemaxon
logS-1.9ALOGPS
pKa (Strongest Basic)8.59Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity55.92 m3·mol-1Chemaxon
Polarizability21.85 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon