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Domperidone

CAT: 0926-FD31879-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-FD31879-03Size:500 g
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CAS Number
57808-66-9
MDL Number
MFCD00069256
Smiles
C1CN (CCC1N2C3=C (C=C (C=C3) Cl) NC2=O) CCCN4C5=CC=CC=C5NC4=O
Molecular Formula
C22H24ClN5O2
Molecular Weight
425.91 g/mol
Controlled
No

Chemical Information

Domperidone

Domperidone is 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. It has a role as a dopaminergic antagonist and an antiemetic. It is a member of benzimidazoles and a heteroarylpiperidine.

CAS Number57808-66-9
PubChem CID3151
IUPAC Name6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular FormulaC22H24ClN5O2
Molecular Weight425.9
XLogP3.9
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity655
SMILES
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
InChIKey
FGXWKSZFVQUSTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Domperidone
CAS: 57808-66-9
CID: 3151
Formula: C22H24ClN5O2
MW: 425.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.9
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass425.1618527
Monoisotopic Mass425.1618527
Topological Polar Surface Area67.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity655
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

Related Products

CatalogName
RFC05355-013'-[4- (5-Chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl) -1-piperidinyl]propyl domperidine (domperidine impurity F)

Alternative Products

CatalogName
B1481-5.1Domperidone

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