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Pinaverium Bromide Impurity 60

CAT: 1299-RM-P092760-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P092760-01Size:10 mg
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CAS Number
1190372-41-8
Synonyms
4- (2- (2- ((1R,2S,5R) -6,6-dimethylbicyclo[3.1.1]heptan-2-yl) ethoxy) ethyl) morpholine and 4- (2- (2- ((1S,2R,5S) -6,6-dimethylbicyclo[3.1.1]heptan-2-yl) ethoxy) ethyl) morpholine
Molecular Formula
C17H31NO2
Molecular Weight
281.44
Target Alternative Name
Pinaverium Bromide
Product Name Synonym
4- (2- (2- ((1R,2S,5R) -6,6-dimethylbicyclo[3.1.1]heptan-2-yl) ethoxy) ethyl) morpholine and 4- (2- (2- ((1S,2R,5S) -6,6-dimethylbicyclo[3.1.1]heptan-2-yl) ethoxy) ethyl) morpholine

Chemical Information

Pinaverium impurity 29
CAS Number1190372-41-8
PubChem CID165341956
IUPAC Name4-[2-[2-[(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholine
Molecular FormulaC17H31NO2
Molecular Weight281.4
XLogP3.2
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity312
SMILES
CC1([C@@H]2CC[C@H]([C@H]1C2)CCOCCN3CCOCC3)C
InChI
InChI=1S/C17H31NO2/c1-17(2)15-4-3-14(16(17)13-15)5-9-19-10-6-18-7-11-20-12-8-18/h14-16H,3-13H2,1-2H3/t14-,15+,16+/m0/s1
InChIKey
FPLHEALBGYMFJM-ARFHVFGLSA-N
Chemical Structure
2D Structure
2D structure of Pinaverium impurity 29
CAS: 1190372-41-8
CID: 165341956
Formula: C17H31NO2
MW: 281.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass281.235479232
Monoisotopic Mass281.235479232
Topological Polar Surface Area21.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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