Products for Research Use Only

Indisetron Dihydrochloride

CAT: 0013-GTR19197477-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197477-01Size:25 mg
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Description
Indisetron Dihydrochloride is a dual antagonist of 5-HT3 and 5-HT4 receptors, attenuating 2-methyl-5-HT-induced bradycardia. This compound is utilized in research to investigate serotonin receptor functions in gastrointestinal motility, cardiac reflexes, and emesis, with applications in both in vitro binding assays and in vivo physiological studies.
CAS Number
160472-97-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.[H][C@]12C[C@@H] (C[C@] ([H]) (CN (C) C1) N2C) NC (=O) c1n[nH]c2ccccc12 |TLB:14:4:12:8.9.11,10:9:12:4.3.5|
Molecular Formula
C17H24ClN5O
Molecular Weight
349.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Indisetron hydrochloride

See also: Indisetron Hydrochloride (annotation moved to).

CAS Number160472-97-9
PubChem CID178038
IUPAC NameN-[(1R,5S)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide;dihydrochloride
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.3
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity442
SMILES
CN1C[C@H]2CC(C[C@@H](C1)N2C)NC(=O)C3=NNC4=CC=CC=C43.Cl.Cl
InChI
InChI=1S/C17H23N5O.2ClH/c1-21-9-12-7-11(8-13(10-21)22(12)2)18-17(23)16-14-5-3-4-6-15(14)19-20-16;;/h3-6,11-13H,7-10H2,1-2H3,(H,18,23)(H,19,20);2*1H/t11?,12-,13+;;
InChIKey
KOYCUQMOCJHRJC-MLOZCBHJSA-N
Chemical Structure
2D Structure
2D structure of Indisetron hydrochloride
CAS: 160472-97-9
CID: 178038
Formula: C17H25Cl2N5O
MW: 386.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass385.1436158
Monoisotopic Mass385.1436158
Topological Polar Surface Area64.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity442
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes