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Vinpoline

CAT: 0013-GTR19241648-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241648-01Size:50 mg
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Description
Vinpoline is a small molecule compound studied for its stimulant effects on the central nervous system. It is utilized in neuroscience research for investigating neuropharmacology, with applications in both in vitro receptor studies and in vivo behavioral models.
CAS Number
57694-27-6
Smiles
C (C) [C@]12[C@]3 (C=4N (C=5C (C4CCN3CCC1) =CC=CC5) [C@@H] (C (OCC (C) O) =O) C2) [H]
Molecular Formula
C23H30N2O3
Molecular Weight
382.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vinpoline
CAS Number57694-27-6
PubChem CID3085131
IUPAC Name2-hydroxypropyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Molecular FormulaC23H30N2O3
Molecular Weight382.5
XLogP3.4
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity613
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)C(=O)OCC(C)O
InChI
InChI=1S/C23H30N2O3/c1-3-23-10-6-11-24-12-9-17-16-7-4-5-8-18(16)25(20(17)21(23)24)19(13-23)22(27)28-14-15(2)26/h4-5,7-8,15,19,21,26H,3,6,9-14H2,1-2H3/t15?,19-,21-,23+/m1/s1
InChIKey
WCFTYXWKCDJUFP-YJNPREOBSA-N
Chemical Structure
2D Structure
2D structure of Vinpoline
CAS: 57694-27-6
CID: 3085131
Formula: C23H30N2O3
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass382.22564282
Monoisotopic Mass382.22564282
Topological Polar Surface Area54.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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