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Moclobemide (Ro 111163)

CAT: 0244-S3212-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0244-S3212-10mgSize:10 mg
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CAS Number
71320-77-9

Chemical Information

Moclobemide

Moclobemide is a member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression. It has a role as an antidepressant, a xenobiotic and an environmental contaminant. It is a member of benzamides, a member of morpholines and a member of monochlorobenzenes.

CAS Number71320-77-9
PubChem CID4235
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)benzamide
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74
XLogP1.5
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity262
SMILES
C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKey
YHXISWVBGDMDLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Moclobemide
CAS: 71320-77-9
CID: 4235
Formula: C13H17ClN2O2
MW: 268.74
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.74
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass268.0978555
Monoisotopic Mass268.0978555
Topological Polar Surface Area41.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity262
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

Alternative Products

CatalogName
A4370-10Moclobemide (Ro 111163)
282911-01Moclobemide

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