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Merck

SML0346

Alosetron hydrochloride

≥98% (HPLC)

Synonym(s):

2,3,4,5-Tetrahydro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-pyrido[4,3-b]indol-1-one hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C17H18N4O·HCl
CAS Number:
122852-69-1
Molecular Weight:
330.81
NACRES:
NA.77
PubChem Substance ID:
329825350
UNSPSC Code:
12352200
MDL number:
MFCD09028027

Key Documents

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Product Name

Alosetron hydrochloride, ≥98% (HPLC)

InChI

1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H

SMILES string

CN1C2=C(C=CC=C2)C3=C1CCN(CC4=C(C)N=CN4)C3=O.Cl

InChI key

FNYQZOVOVDSGJH-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

H2O: ≥5 mg/mL at warmed

storage temp.

2-8°C

Quality Level

100

Gene Information

human ... HTR3A(3359)

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Biochem/physiol Actions

Alosetron is a potent and highly selective antagonist of serotonin 5-HT3 receptors, nonselective cation channels found predominantly in the enteric nervous system of the gastrointestinal tract. These receptors are involved in the regulation of visceral pain, colonic transit and GI secretions that can contribute to the pathophysiology of irritable bowel syndrome (IBS). Alosetron is used clinically for treatment of women with severe diarrhea-predominant IBS.
Alosetron is a potent and highly selective antagonist.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000427432
0000427432
0000141193
0000040422
0000040423

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Larry D Lynd et al.
Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research, 13(4), 411-417 (2009-09-12)
There is consensus that a more transparent, explicit, and rigorous approach to benefit-risk evaluation is required. The objective of this study is to evaluate the incremental net benefit (INB) framework for undertaking quantitative benefit-risk assessment by performing a quantitative benefit-risk
Clinical practice. Irritable bowel syndrome.
Emeran A Mayer
The New England journal of medicine, 358(16), 1692-1699 (2008-04-19)
Alexander C Ford et al.
The American journal of gastroenterology, 104(7), 1831-1843 (2009-05-28)
Irritable bowel syndrome (IBS) is a chronic functional disorder. 5-Hydroxytryptamine (5-HT) is a key modulator of gastrointestinal sensorimotor function. Many patients have IBS that can be difficult to treat, which has led to the development of newer agents, such as
F Reed Johnson et al.
Value in health : the journal of the International Society for Pharmacoeconomics and Outcomes Research, 13(4), 418-423 (2010-03-17)
The Food and Drug Administration, currently, is exploring quantitative benefit-risk methods to support regulatory decision-making. A scientifically valid method for assessing patients' benefit-risk trade-off preferences is needed to compare risks and benefits in a common metric. The study aims to
Eric Shah et al.
The American journal of medicine, 125(4), 381-393 (2012-03-27)
Current treatment options for irritable bowel syndrome are limited and often poorly studied. A select few drugs have been studied in irritable bowel syndrome, and the number needed to treat is frequently used to assess the relative efficacy of these
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