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Trans-Cevimeline HCl

CAT: 1596-AR-C02370-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02370-01Size:10 Units
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CAS Number
107220-29-1
Synonyms
(2S,3'R) -2-methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane] hydrochloride; trans-2'-Methyl-spiro[1-azabicyclo[2.2.2]octane-3,5'-[1,3]oxathiolane] Hydrochloride
Molecular Formula
C10H17NOS. HCl
Molecular Weight
199.31 36.46
API Name
Cevimeline

Chemical Information

rac,trans-Cevimeline Hydrochloride
CAS Number107220-29-1
PubChem CID24846079
IUPAC Name(2S,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrochloride
Molecular FormulaC10H18ClNOS
Molecular Weight235.77
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
C[C@H]1O[C@]2(CN3CCC2CC3)CS1.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/t8-,10+;/m0./s1
InChIKey
SURWTGAXEIEOGY-KXNXZCPBSA-N
Chemical Structure
2D Structure
2D structure of rac,trans-Cevimeline Hydrochloride
CAS: 107220-29-1
CID: 24846079
Formula: C10H18ClNOS
MW: 235.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass235.0797631
Monoisotopic Mass235.0797631
Topological Polar Surface Area37.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
CS-O-47931Trans Cevimeline Sulfoxide
HY-116459-01Trans-Cevimeline (hydrochloride)
467916-01Trans-Cevimeline Hydrochloride
TRC-C283525-1MGrac,trans-Cevimeline Hydrochloride
GTR19201888Cevimeline
GTR19202448Cevimeline hydrochloride
591283Cevimeline HCl
005982Cevimeline Sulfoxide

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