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VU 0357017 hydrochloride

CAT: 0607-B7636-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7636-50Size:50 mg
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Description
Positive allosteric modulator of muscarinic M1 receptors
CAS Number
1135242-13-5
Product Name Alternative
ethyl 4-((2-(2-methylbenzamido)ethyl)amino)piperidine-1-carboxylate hydrochloride
Field of Research
Neuroscience Muscarinic Receptor
Purity
0.98
Form
A crystalline solid
Solubility
Limited solubility, soluble in DMSO or H2O
Smiles
O=C(N1CCC(CC1)NCCNC(C2=CC=CC=C2C)=O)OCC.Cl
Molecular Formula
C18H27N3O3·HCl
Molecular Weight
369.89
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

VU 0357017 Hydrochloride
CAS Number1135242-13-5
PubChem CID25010775
IUPAC Nameethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
Molecular FormulaC18H28ClN3O3
Molecular Weight369.9
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity408
SMILES
CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
InChI
InChI=1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H
InChIKey
XKJQVUIXSBOCPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU 0357017 Hydrochloride
CAS: 1135242-13-5
CID: 25010775
Formula: C18H28ClN3O3
MW: 369.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass369.1819195
Monoisotopic Mass369.1819195
Topological Polar Surface Area70.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity408
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

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