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Ropivacaine Impurity 43

CAT: 1299-RM-R162243-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162243-01Size:10 mg
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CAS Number
2726971-51-1
Synonyms
(2R) -2- ((2,6-dimethylphenyl) carbamoyl) -1-propylpiperidine 1-oxide
Molecular Formula
C17H26N2O2
Molecular Weight
290.41
Target Alternative Name
Ropivacaine
Product Name Synonym
(2R) -2- ((2,6-dimethylphenyl) carbamoyl) -1-propylpiperidine 1-oxide

Chemical Information

Ropivacaine Impurity 43
CAS Number2726971-51-1
PubChem CID177831550
IUPAC Name(2R)-N-(2,6-dimethylphenyl)-1-oxido-1-propylpiperidin-1-ium-2-carboxamide
Molecular FormulaC17H26N2O2
Molecular Weight290.4
XLogP3.1
Topological Polar Surface Area47.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity351
SMILES
CCC[N+]1(CCCC[C@@H]1C(=O)NC2=C(C=CC=C2C)C)[O-]
InChI
InChI=1S/C17H26N2O2/c1-4-11-19(21)12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-,19?/m1/s1
InChIKey
RVWGBWHPDXEKHY-NYRJJRHWSA-N
Chemical Structure
2D Structure
2D structure of Ropivacaine Impurity 43
CAS: 2726971-51-1
CID: 177831550
Formula: C17H26N2O2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass290.199428076
Monoisotopic Mass290.199428076
Topological Polar Surface Area47.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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