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Vinpocetine Impurity H

CAT: 1299-RM-V091908-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V091908-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109741-24-4
Synonyms
(41S,13aS) -12- (ethoxycarbonyl) -13a-ethyl-1,2,3,4,41,5,6,13a-octahydroindolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine 4-oxide
Molecular Formula
C22H26N2O3
Molecular Weight
366.45
Target Alternative Name
Vinpocetine
Product Name Synonym
(41S,13aS) -12- (ethoxycarbonyl) -13a-ethyl-1,2,3,4,41,5,6,13a-octahydroindolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine 4-oxide

Chemical Information

Vinpocetine N-Oxide
CAS Number109741-24-4
PubChem CID14037524
IUPAC Nameethyl (15S,19S)-15-ethyl-11-oxido-1-aza-11-azoniapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
Molecular FormulaC22H26N2O3
Molecular Weight366.5
XLogP3.6
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity664
SMILES
CC[C@@]12CCC[N+]3([C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC)[O-]
InChI
InChI=1S/C22H26N2O3/c1-3-22-11-7-12-24(26)13-10-16-15-8-5-6-9-17(15)23(19(16)20(22)24)18(14-22)21(25)27-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+,24?/m1/s1
InChIKey
NCCRKORMLQOQIJ-ZZNRJTPNSA-N
Chemical Structure
2D Structure
2D structure of Vinpocetine N-Oxide
CAS: 109741-24-4
CID: 14037524
Formula: C22H26N2O3
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass366.19434270
Monoisotopic Mass366.19434270
Topological Polar Surface Area49.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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