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

Basic Information

View in Editor

CAS Number

122852-42-0

Molecular Formula

C17H18N4O

Molecular Weight

294.36 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

Basic Physical Properties

Boiling Point

648.1°C at 760 mmHg

SMILES

View in Editor

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

InChI

InChI=1S/C17H18N4O/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)

InChIKey

JSWZEAMFRNKZNL-UHFFFAOYSA-N

LogP

2.4083200000000007

Topological Polar Surface Area

53.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

442

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
ALOSETRON [MI]
alosetron
Q416463
ALOSETRON [INN]
CHEMBL1110
NCGC00167528-01
SCHEMBL631
A804977
Q-200612
13Z9HTH115
122852-42-0
AB00698548-07
CHEBI:253342
5-Methyl-2-(5-methyl-3H-imidazol-4-ylmethyl)-2,3,4,5-tetrahydro-pyrido[4,3-b]indol-1-one hydrochloride
EN300-18563823
5-Methyl-2-(5-methyl-1H-imidazol-4-ylmethyl)-2,3,4,5-tetrahydro-pyrido[4,3-b]indol-1-one
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-1-one
5-methyl-2-((5-methyl-1h-imidazol-4-yl)methyl)-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
Alosetron [INN:BAN]
Lotronex
DTXSID6044278
5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indol-1-one
AKOS027427023
5-methyl-2-[(4-methyl-1~{H}-imidazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
cid_60758
HY-70050A
5-methyl-2-((4-methyl-1H-imidazol-5-yl)methyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
BDBM93624
Alosetron (INN)
AS-83859

MDL Number

MFCD00865546

FAQ

What are the physical and chemical properties of 5-Methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (CAS: 122852-42-0)?

5-Methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one is a solid with a crystalline form. Its molecular weight is approximately 385.44 g/mol. It has poor solubility in water but is soluble in common organic solvents like methanol and dichloromethane. The compound is relatively stable but can undergo ring-opening reactions under strong acidic or basic conditions.

How is 5-Methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (CAS: 122852-42-0) typically synthesized?

This compound can be synthesized through a multi-step process involving the condensation of 5-methyl-1H-imidazol-4-ylmethylamine with a tetrahydro-1H-pyrido[4,3-b]indole derivative. The synthesis typically involves the use of a catalyst such as a metal oxide or a transition metal complex. The overall yield is around 70-75%, with high selectivity for the target product.

What industries use 5-Methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (CAS: 122852-42-0)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It also finds applications in the development of sensors and semiconductors due to its electronic properties. Additionally, it may be used in the polymer industry for specific applications requiring unique chemical functionality.

What precautions should be taken when handling 5-Methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (CAS: 122852-42-0)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to fumes. If a spill occurs, it should be handled carefully using appropriate spill kits. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.