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HIOC

CAT: 0931-T37081-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T37081-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
314054-36-9
Target
Others, Apoptosis, ERK, Trk receptor
Related Pathways
Apoptosis, Tyrosine Kinase/Adaptors, Others, MAPK
Bioactivity
Selective TrkB receptor agonist. Protects neurons from excitotoxicity. Protects retinas from light-induced retinal degeneration (LIRD) in vivo. Blood brain barrier and blood-retinal barrier penetrant.
Smiles
C(CNC(=O)C1C(=O)NCCC1)C=2C=3C(NC2)=CC=C(O)C3
Molecular Formula
C16H19N3O3
Molecular Weight
301.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-2-oxopiperidine-3-carboxamide

a TrkB receptor activator and neuroprotective agent; structure in first source

CAS Number314054-36-9
PubChem CID5012758
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
Molecular FormulaC16H19N3O3
Molecular Weight301.34
XLogP1
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity429
SMILES
C1CC(C(=O)NC1)C(=O)NCCC2=CNC3=C2C=C(C=C3)O
InChI
InChI=1S/C16H19N3O3/c20-11-3-4-14-13(8-11)10(9-19-14)5-7-18-16(22)12-2-1-6-17-15(12)21/h3-4,8-9,12,19-20H,1-2,5-7H2,(H,17,21)(H,18,22)
InChIKey
ZIMKJLALTRLXJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-2-oxopiperidine-3-carboxamide
CAS: 314054-36-9
CID: 5012758
Formula: C16H19N3O3
MW: 301.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.34
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass301.14264148
Monoisotopic Mass301.14264148
Topological Polar Surface Area94.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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