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LY 2365109 hydrochloride

CAT: 0607-B7394-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7394-50Size:50 mg
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Description
glycine transporter 1 (GlyT1) inhibitor
CAS Number
1779796-27-8
Product Name Alternative
2-((2-(4-(benzo[d][1,3]dioxol-5-yl)-2-(tert-butyl)phenoxy)ethyl)(methyl)amino)acetic acid hydrochloride
Field of Research
Membrane Transporter Ion Channel GlyT1
Purity
0.9929
Form
Off-white solid
Solubility
≥41.1 mg/mL in DMSO; ≥7.3 mg/mL in EtOH; insoluble in H2O
Smiles
CC(C)(C1=C(OCCN(CC(O)=O)C)C=CC(C2=CC3=C(OCO3)C=C2)=C1)C.Cl
Molecular Formula
C22H27NO5·HCl
Molecular Weight
421.91
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

LY2365109 hydrochloride
CAS Number1779796-27-8
PubChem CID56972229
IUPAC Name2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid;hydrochloride
Molecular FormulaC22H28ClNO5
Molecular Weight421.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity520
SMILES
CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O.Cl
InChI
InChI=1S/C22H27NO5.ClH/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25;/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25);1H
InChIKey
ZQVOAGQZHDAFRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY2365109 hydrochloride
CAS: 1779796-27-8
CID: 56972229
Formula: C22H28ClNO5
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass421.1656007
Monoisotopic Mass421.1656007
Topological Polar Surface Area68.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity520
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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Alternative Products

CatalogName
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