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1089115-04-7

Aripiprazole-d8 (butyl-d8) is a deuterated version of Aripiprazole, an atypical antipsychotic and antidepressant drug used to treat schizophrenia, bipolar disorder, and clinical depression. It is a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity, and is available as a white solid. This internal standard is suitable for the quantitation of aripiprazole in biological samples using LCMS or GCMS applications.

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  • 1089115-04-7 Structure

  • Basic information

    1. Product Name: Aripiprazole-d8 (Butyl-d8)
    2. Synonyms: Aripiprazole-d8 (Butyl-d8);7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4- dihydrocarbostyril;7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4-dihydro-2(1H)-quinolinone;7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4-dihydro-2(1H)-quinolinone;Aripiprazole-d8 solution;7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
    3. CAS NO:1089115-04-7
    4. Molecular Formula: C23H27Cl2N3O2
    5. Molecular Weight: 448.38538
    6. EINECS: 200-835-2
    7. Product Categories: Heterocycles;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Neurochemicals;Pharmaceuticals
    8. Mol File: 1089115-04-7.mol

  • Chemical Properties

    1. Melting Point: 137-139°C
    2. Boiling Point: 646.184 °C at 760 mmHg
    3. Flash Point: 2℃
    4. Appearance: /
    5. Density: 1.286 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: Refrigerator
    8. Solubility: Chloroform (Slightly), DMSO (Slightly)
    9. CAS DataBase Reference: Aripiprazole-d8 (Butyl-d8)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Aripiprazole-d8 (Butyl-d8)(1089115-04-7)
    11. EPA Substance Registry System: Aripiprazole-d8 (Butyl-d8)(1089115-04-7)

  • Safety Data

    1. Hazard Codes: F,Xn
    2. Statements: 11-20/21/22-36
    3. Safety Statements: 16-36/37
    4. RIDADR: UN 1648 3 / PGII
    5. WGK Germany: 2
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 1089115-04-7(Hazardous Substances Data)

1089115-04-7 Usage

Uses

Used in Pharmaceutical Industry:
Aripiprazole-d8 (butyl-d8) is used as an internal standard for the quantitation of aripiprazole in biological samples, aiding in the accurate measurement and analysis of the drug's presence in various tests and studies.
Used in Research and Development:
Aripiprazole-d8 (butyl-d8) serves as a valuable tool in research and development for the study of the pharmacokinetics, pharmacodynamics, and potential interactions of aripiprazole with other drugs or compounds. This helps in understanding the drug's mechanism of action and its effectiveness in treating various mental health conditions.
Used in Quality Control and Assurance:
In the pharmaceutical industry, Aripiprazole-d8 (butyl-d8) is utilized for quality control and assurance purposes, ensuring that the drug meets the required standards for purity, potency, and safety before it is released for medical use.

Check Digit Verification of cas no

The CAS Registry Mumber 1089115-04-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,8,9,1,1 and 5 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1089115-04:
(9*1)+(8*0)+(7*8)+(6*9)+(5*1)+(4*1)+(3*5)+(2*0)+(1*4)=147
147 % 10 = 7
So 1089115-04-7 is a valid CAS Registry Number.

1089115-04-7 Well-known Company Product Price

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  • Cerilliant

  • (A-081)  Aripiprazole-d8 solution  100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material

  • 1089115-04-7

  • A-081-1ML

  • 2,179.71CNY

  • Detail

1089115-04-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

1.2 Other means of identification

Product number -
Other names Aripiprazole-d8 (butyl-d8)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1089115-04-7 SDS

1089115-04-7Downstream Products

1089115-04-7Relevant articles and documents

Efficient synthesis of deuterium labeled hydroxyzine and aripiprazole

Vohra, Mohit,Sandbhor, Mahendra,Wozniak, Andrew

, p. 304 - 307 (2015)

Hydroxyzine and aripiprazole are active pharmaceutical ingredients that have been largely acknowledged for their antipsychotic properties. Deuterium labeled isotopes of hydroxyzine and aripiprazole are internal standards that can aid in the further research of non-isotopic forms via quantification analysis using HPLC-MS/MS. The synthesis of hydroxyzine-d8 was accomplished by coupling piperazine-d8 with 4-chlorobenzhydryl chloride followed by the reaction of the first intermediate with 2-(2-chloroethoxy) ethanol to afford 11.7% of hydroxyzine-d8 with 99.5% purity. The synthesis of aripiprazole-d8 was also achieved in two steps. 1,4-Dibromobutane-d8 reacted with 7-hydroxy-3,4-dihydro-2(1H)-quinolinone. The first intermediate was then coupled with 1-(2, 3-dichlorophenyl)piperazine hydrochloride to produce 33.4% of aripiprazole-d8 with 99.93% purity.

Deuterated aripiprazole as well as preparation method and application thereof

-

, (2018/07/30)

The invention belongs to the fields of organic and medicine synthesis, and discloses deuterated d8 aripiprazole as well as a preparation method and application thereof. According to the preparation method, 1,4-dichlorobutane-d8 serving as a raw material i

ARYLPIPERAZINE MODULATORS OF D2 RECEPTORS, 5-HT1A RECEPTORS, AND/OR 5-HT2A RECEPTORS

-

Page/Page column 30-31, (2010/04/23)

The present invention relates to new arylpiperazine modulators of D2 receptors, 5-HT1A receptors, and/or 5-HT2A receptors, pharmaceutical compositions thereof, and methods of use thereof.

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