John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1BGgO0Olzyh SpectraBase Spectrum ID=29ADwcfOl03

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Ramosetron
SpectraBase Compound ID 1BGgO0Olzyh
InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKey NTHPAPBPFQJABD-LLVKDONJSA-N
Mol Weight 279.34 g/mol
Molecular Formula C17H17N3O
Exact Mass 279.137162 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 29ADwcfOl03
Name Ramosetron
Source of Sample Cayman Chemical Company
Catalog Number Free base of 15548
Lot Number Free base of 0456487-4
Accessory DurasamplIR II
CAS Registry Number 132036-88-5
Classification potent and selective antagonist of the serotonin receptor subtype
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Formula C17H17N3O
InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
InChIKey NTHPAPBPFQJABD-LLVKDONJSA-N
Instrument Name Bio-Rad FTS
SMILES [nH]1cnc2CC[C@](Cc12)(C(c1c2c([n](c1)C)cccc2)=O)[H]
Sample Description crystalline solid
Sample Preparation Procedure The HCl salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR.
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID LmZMfGEd30a
Synonyms (-)-(R)-1-Methylindol-3-yl 4,5,6,7-tetrahydro-5-benzimidazolylketone
Technique ATR-Film (MeCl2) (DuraSamplIR II)