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Tegaserod

CAT: 0013-GTR19187786-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187786-03Size:10 mg
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Description
Tegaserod is a small molecule 5-HT4 receptor agonist and 5-HT2B antagonist used in IBS research. It has demonstrated antitumor activity in preclinical studies, making it a compound of interest for oncology and gastrointestinal research in both in vitro and in vivo models.
CAS Number
145158-71-0
Product Name Alternative
5HT Receptor, 5HTReceptor, 5-HT4, 5-HT2B
Field of Research
Cell Biology, Neuroscience, Pharmacology & Drug Discovery
Purity
99.20% (May vary between batches)
Solubility
DMSO:257.5 mg/mL (854.37 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (16.59 mM)
Smiles
N=C (NN=CC1=CNC=2C=CC (OC) =CC12) NCCCCC
Molecular Formula
C16H23N5O
Molecular Weight
301.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tegaserod

Tegaserod is a member of guanidines, a member of hydrazines, a member of indoles and a carboxamidine. It has a role as a serotonergic agonist and a gastrointestinal drug.

CAS Number145158-71-0
PubChem CID135409453
IUPAC Name1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
Molecular FormulaC16H23N5O
Molecular Weight301.39
XLogP2.6
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity385
SMILES
CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+
InChIKey
IKBKZGMPCYNSLU-RGVLZGJSSA-N
Chemical Structure
2D Structure
2D structure of Tegaserod
CAS: 145158-71-0
CID: 135409453
Formula: C16H23N5O
MW: 301.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.39
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass301.19026037
Monoisotopic Mass301.19026037
Topological Polar Surface Area87.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2884-25Tegaserod
289945-01Tegaserod maleate
TRC-T234890-25MGTegaserod-d9

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