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Cilansetron

CAT: 0931-T27020-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27020-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120635-74-7
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9998
Bioactivity
Cilansetron is an effective and selective 5-HT3 receptor antagonist that can be used for related diseases caused by colitis.
Smiles
O=C1C=2C=3C=4N(C2CC[C@@H]1CN5C(C)=NC=C5)CCCC4C=CC3
Molecular Formula
C20H21N3O
Molecular Weight
319.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cilansetron

Cilansetron is a 5HT-3 antagonist made by Solvay Pharmaceuticals that is currently under trial phase in the EU and US.

CAS Number120635-74-7
PubChem CID6918107
IUPAC Name(12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
Molecular FormulaC20H21N3O
Molecular Weight319.4
XLogP2.6
Topological Polar Surface Area39.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity509
SMILES
CC1=NC=CN1C[C@H]2CCC3=C(C2=O)C4=CC=CC5=C4N3CCC5
InChI
InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
InChIKey
NCNFDKWULDWJDS-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Cilansetron
CAS: 120635-74-7
CID: 6918107
Formula: C20H21N3O
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass319.168462302
Monoisotopic Mass319.168462302
Topological Polar Surface Area39.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19197897-01Cilansetron
GTR19219466-01Isomer-Cilansetron
MBS5780559Cilansetron Hydrochloride
HY-105109B-01(S) -Cilansetron
HY-105108Cilansetron (hydrochloride hydrate)

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