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Itopride hydrochloride

CAT: 1568-C17512Size: 500 mgDry Ice: YesHazardous: No
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CAT#:1568-C17512Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
122892-31-3
Synonyms
Ganaton, HSR803
SKU
C17512-500mg
Target
AChR
Applications
Neuronal Signaling
Smiles
CN (C) CCOC1=CC=C (C=C1) CNC (=O) C2=CC (=C (C=C2) OC) OC.Cl
Molecular Formula
C20H26N2O4.HCl
Additionnal Information
Itopride hydrochloride (Ganaton, HSR803) is an AChE inhibitor. The IC50 of itopride with AChE is 2.04 +/- 0.27 μM.
Storage Conditions
2 years -80 in solvent

Chemical Information

Itopride Hydrochloride

See also: Itopride (has active moiety).

CAS Number122892-31-3
PubChem CID129791
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride
Molecular FormulaC20H27ClN2O4
Molecular Weight394.9
Topological Polar Surface Area60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity411
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl
InChI
InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H
InChIKey
ZTOUXLLIPWWHSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Itopride Hydrochloride
CAS: 122892-31-3
CID: 129791
Formula: C20H27ClN2O4
MW: 394.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass394.1659350
Monoisotopic Mass394.1659350
Topological Polar Surface Area60 Ų
Heavy Atom Count27
Formal Charge0
Complexity411
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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