Alosetron HCl | CAS No. 122852-69-1

Alosetron HCl

Basic Information

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CAS Number

122852-69-1

Molecular Formula

C17H19ClN4O

Molecular Weight

330.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

291°C

Boiling Point

648.1 °C at 760 mmHg

Density

1.34

Flash Point

345.8 °C

Solubility

H2O: ≥5mg/mL at warmed

SMILES

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CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl

InChI

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

InChIKey

FNYQZOVOVDSGJH-UHFFFAOYSA-N

LogP

2.8301200000000013

Topological Polar Surface Area

53.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

442

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

132414-02-9
Lotrpnex (TN)
BA166465
ALOSETRON HYDROCHLORIDE
DTXCID6024208
Alosetron (Hydrochloride)
HSDB 7055
NCGC00167528-01
122852-69-1
GR 68755;GR 68755X
5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-3,4-dihydro-2H-pyrido[4,3-b]indol-1(5H)-one hydrochloride
BS-42103
ALOSETRON HYDROCHLORIDE (USP MONOGRAPH)
2F5R1A46YW
Tox21_112525_1
CS-0642
ALOSETRON HYDROCHLORIDE (USP-RS)
D02829
2,3,4,5-Tetrahydro-5-methyl-2-[(5-methyl-1-H-imidazol-4-yl)methyl]-1H-pyrido[4,3-b]indol-1-one hydrochloride
CCG-267816
FT-0661526
Alosetron (Hydrochloride(1:X))
122852-69-1 (HCl)
HY-70050C
AMY33432
Alosetron hydrochloride, >=98% (HPLC)
GR 68755 (Hydrochloride(1:X));GR 68755X (Hydrochloride(1:X))
NC00160
AKOS015961658
Alosetron Hydrochloride(1:X)
DTXSID8044208

MDL Number

MFCD03453647

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Alosetron HCl (CAS: 122852-69-1)?

Alosetron HCl is a white or off-white crystalline powder with a molecular weight of approximately 417.8 g/mol. It has a pKa of about 2.5 and is poorly soluble in water but soluble in organic solvents. Alosetron HCl is a selective serotonin (5-HT₃) receptor antagonist and exhibits low reactivity under normal conditions.

How is Alosetron HCl (CAS: 122852-69-1) typically synthesized?

Alosetron HCl is synthesized via multi-step processes involving protection, functionalization, and deprotection of key intermediates. The synthesis typically requires careful control of reaction conditions, such as temperature and solvent choice, to achieve high yields and selectivity. Commonly used reagents include acetyl chloride, ethanol, and various protecting groups.

What industries use Alosetron HCl (CAS: 122852-69-1)?

Alosetron HCl is primarily used in the pharmaceutical industry for the treatment of irritable bowel syndrome with constipation (IBS-C). It is also studied for potential applications in the research of serotonin receptor pharmacology and related neurological conditions.

What precautions should be taken when handling Alosetron HCl (CAS: 122852-69-1)?

Alosetron HCl should be handled under mechanical ventilation to avoid inhalation of dust. Use appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Store in a tightly sealed container at controlled room temperature. In case of accidental spill, avoid direct contact and clean up using appropriate absorbent materials, followed by thorough rinsing with water.