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Lurosetron

CAT: 0931-T88171-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88171-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128486-54-4
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
Lurosetron (GR-87442) is the 6-fluoro analogue of Alosetron. It functions as a serotonin 5-HT3 receptor antagonist. Lurosetron inhibits recombinant (rbt) CYP1A2 with an IC50 of 0.1 μM and also inhibits other CYP subtypes, including rbtCYP2C9 and rbtCYP3A4, with IC50 values ranging from 3.5 μM to 16 μM.
Smiles
O=C1C=2C=3C=CC=C(F)C3N(C2CCN1CC=4NC=NC4C)C
Molecular Formula
C17H17FN4O
Molecular Weight
312.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lurosetron
CAS Number128486-54-4
PubChem CID172999
IUPAC Name6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Molecular FormulaC17H17FN4O
Molecular Weight312.34
XLogP1.7
Topological Polar Surface Area53.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity476
SMILES
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F
InChI
InChI=1S/C17H17FN4O/c1-10-13(20-9-19-10)8-22-7-6-14-15(17(22)23)11-4-3-5-12(18)16(11)21(14)2/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKey
NUMKWGDDRWJQMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lurosetron
CAS: 128486-54-4
CID: 172999
Formula: C17H17FN4O
MW: 312.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.34
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass312.13863934
Monoisotopic Mass312.13863934
Topological Polar Surface Area53.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity476
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

Alternative Products

CatalogName
HY-106379Lurosetron

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