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Lerisetron

CAT: 0931-T8441-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8441-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143257-98-1
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9982
Bioactivity
Lerisetron is an antagonist of serotonin type 3 (5-HT3) receptor, with antiemetic activity.
Smiles
C(N1C(=NC=2C1=CC=CC2)N3CCNCC3)C4=CC=CC=C4
Molecular Formula
C18H20N4
Molecular Weight
292.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lerisetron

Lerisetron has been used in trials studying the supportive care of Nausea and Vomiting and Testicular Germ Cell Tumor.

CAS Number143257-98-1
PubChem CID65997
IUPAC Name1-benzyl-2-piperazin-1-ylbenzimidazole
Molecular FormulaC18H20N4
Molecular Weight292.4
XLogP2.8
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity349
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
InChIKey
PWWDCRQZITYKDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lerisetron
CAS: 143257-98-1
CID: 65997
Formula: C18H20N4
MW: 292.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass292.16879665
Monoisotopic Mass292.16879665
Topological Polar Surface Area33.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity349
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