Products for Research Use Only

CP-409092 hydrochloride

CAT: 0013-GTR19206167-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206167-01Size:5 mg
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Description
CP-409092 hydrochloride
CAS Number
225240-86-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.CNCc1ccc (NC (=O) c2c[nH]c3CCCC (=O) c23) cc1
Molecular Formula
C17H20ClN3O2
Molecular Weight
333.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CP-409092 hydrochloride
CAS Number225240-86-8
PubChem CID139035003
IUPAC NameN-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide;hydrochloride
Molecular FormulaC17H20ClN3O2
Molecular Weight333.8
Topological Polar Surface Area74
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity418
SMILES
CNCC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3.Cl
InChI
InChI=1S/C17H19N3O2.ClH/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14;/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22);1H
InChIKey
XUBYQTCAOAXNKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CP-409092 hydrochloride
CAS: 225240-86-8
CID: 139035003
Formula: C17H20ClN3O2
MW: 333.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass333.1244046
Monoisotopic Mass333.1244046
Topological Polar Surface Area74 Ų
Heavy Atom Count23
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes