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Vinpocetine Impurity E

CAT: 1299-RM-V091905-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V091905-03Size:50 mg
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CAS Number
85647-43-4
Synonyms
(41S,13aR) -ethyl 13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
Molecular Formula
C22H26N2O2
Molecular Weight
350.45
Target Alternative Name
Vinpocetine
Product Name Synonym
(41S,13aR) -ethyl 13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate

Chemical Information

Ethyl (41S,13AR)-13A-ethyl-2,3,41,5,6,13A-hexahydro-1H-indolo[3,2,1-DE]pyrido[3,2,1-IJ][1,5]naphthyridine-12-carboxylate
CAS Number85647-43-4
PubChem CID657229
IUPAC Nameethyl (15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
Molecular FormulaC22H26N2O2
Molecular Weight350.5
XLogP4.1
Topological Polar Surface Area34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity617
SMILES
CC[C@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC
InChI
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22-/m1/s1
InChIKey
DDNCQMVWWZOMLN-IFMALSPDSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (41S,13AR)-13A-ethyl-2,3,41,5,6,13A-hexahydro-1H-indolo[3,2,1-DE]pyrido[3,2,1-IJ][1,5]naphthyridine-12-carboxylate
CAS: 85647-43-4
CID: 657229
Formula: C22H26N2O2
MW: 350.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight350.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass350.199428076
Monoisotopic Mass350.199428076
Topological Polar Surface Area34.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes