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Cinitapride

CAT: 0931-T21385-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21385-01Size:1 mg
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CAS Number
66564-14-5
Target
Dopamine Receptor, 5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9952
Bioactivity
Cinitapride (Blaston) is a gastroprokinetic agent. It slows the actions of the muscles to reduce the symptoms of conditions such as acid reflux, delayed gastric emptying, and ulcer dyspepsia. Cinitapride acts as an antagonist of the 5-HT2 receptors and as an agonist of the 5-HT1 and 5-HT4 receptors.
Smiles
C(NC1CCN(CC2CCC=CC2)CC1)(=O)C3=C(OCC)C=C(N)C(N(=O)=O)=C3
Molecular Formula
C21H30N4O4
Molecular Weight
402.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cinitapride

Cinitapride is an aromatic ether and a C-nitro compound.

CAS Number66564-14-5
PubChem CID68867
IUPAC Name4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide
Molecular FormulaC21H30N4O4
Molecular Weight402.5
XLogP3.6
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity586
SMILES
CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N
InChI
InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
InChIKey
ZDLBNXXKDMLZMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cinitapride
CAS: 66564-14-5
CID: 68867
Formula: C21H30N4O4
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass402.22670545
Monoisotopic Mass402.22670545
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-C441990-10MGCinitapride
TRC-C441995-50MGCinitapride Tartrate
444569-01Cinitapride-d5
HY-128386Cinitapride (monotartrate)

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