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3,4-Dimethoxybenzamide

CAT: 0013-GTR19170673-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19170673-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3,4-Dimethoxybenzamide is a natural product isolated from Streptoverticillium morookaense. This amide serves as a key synthetic intermediate, notably in the preparation of the gastroprokinetic agent Itopride hydrochloride for pharmacological research.
CAS Number
1521-41-1
Product Name Alternative
3,4Dimethoxybenzamide, 3,4-Dimethoxybenzamide, 3,4 Dimethoxybenzamide, amide, inhibit, Itopride, morookaense, hydrochloride, Inhibitor, Streptoverticillium
Purity
99.10% (May vary between batches)
Solubility
DMSO:50 mg/mL (275.95 mM)
Smiles
COc1ccc (cc1OC) C (N) =O
Molecular Formula
C9H11NO3
Molecular Weight
181.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,4-Dimethoxybenzamide
CAS Number1521-41-1
PubChem CID73705
IUPAC Name3,4-dimethoxybenzamide
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP1
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
COC1=C(C=C(C=C1)C(=O)N)OC
InChI
InChI=1S/C9H11NO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H2,10,11)
InChIKey
XNDZRGTVUVVHQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxybenzamide
CAS: 1521-41-1
CID: 73705
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area61.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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