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122852-42-0

Basic Information
CAS No.: 122852-42-0
Name: Alosetron
Article Data: 9
Molecular Structure:
Molecular Structure of 122852-42-0 (Alosetron)
Formula: C17H18N4O
Molecular Weight: 294.356
Synonyms: 1H-Pyrido[4,3-b]indol-1-one,2,3,4,5-tetrahydro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]- (9CI);GR 68755;GR 68755X;Lotronex;5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one;2,3,4,5-Tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-1H-pyrido[4,3-b]indol-1-one;
Density: 1.346 g/cm3
Melting Point: 238-240 °C
Boiling Point: 648.136 °C at 760 mmHg
Flash Point: 345.781 °C
Appearance: crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 53.92000
LogP: 2.34620
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    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

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  • Alosetron

  • Casno:

    122852-42-0

    Alosetron

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    INH

    We, at SWAPNROOP, are committed to providing affordable Drugs & Pharmaceuticals of global quality standards to Pharma Companies all over the world. In our warehouse facilities, app

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  • 9-methyl-3-(5-methyl-3H-Imidazol-4-ylmethyl)- 1,2,3,9-Tetrahydro-

  • Casno:

    122852-42-0

    9-methyl-3-(5-methyl-3H-Imidazol-4-ylmethyl)- 1,2,3,9-Tetrahydro-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Hangzhou morot chemical technology co., LTD is one specialized is engaged in pharmaceutical raw materials, pharmaceutical intermediates, fine chemical and biochemical reagents such as research and development of new and high technology products, orde

    Hangzhou Morot Chemical Technology Co., Ltd. is a new-type technology enterprise,specializing in technology development, custom processing and sales of high-tech products,such

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  • ALOSETRON

  • Casno:

    122852-42-0

    ALOSETRON

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

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Specification

The Alosetron, with the CAS registry number 122852-42-0, has the systematic name and IUPAC name of 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one. And the molecular formula of the chemical is C17H18N4O.

The characteristics of Alosetron are as followings: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.92; (7)ACD/KOC (pH 5.5): 2.24; (8)ACD/KOC (pH 7.4): 50.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.06 Å2; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 85.19 cm3; (15)Molar Volume: 218.7 cm3; (16)Polarizability: 33.77×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 345.8 °C; (20)Enthalpy of Vaporization: 95.56 kJ/mol; (21)Boiling Point: 648.1 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-16 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1N(CCc3c1c2ccccc2n3C)Cc4ncnc4C
(2)InChI: InChI=1/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)
(3)InChIKey: JSWZEAMFRNKZNL-UHFFFAOYAD