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CAS

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134507-62-3

4'-Fluorococaine is a derivative of the naturally occurring alkaloid, cocaine, with a fluorine atom substituted at the 4' position. This modification alters its chemical properties and interactions with biological systems. It is a controlled substance due to its potential for misuse and its relation to cocaine.

134507-62-3 Suppliers

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  • 134507-62-3 Structure

  • Basic information

    1. Product Name: 4'-fluorococaine
    2. Synonyms: 4'-fluorococaine;8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((4-fluorobenzoyl)oxy)-8-methyl-, methyl ester, (1R-(exo,exo))-;p-Fluorococaine hydrochloride;(1R,2R,3S,5S)-3-[(4-Fluorobenzoyl)oxy]-8-Methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester;[1R-(exo,exo)]-3-[(4-Fluorobenzoyl)oxy]-8-Methyl-8- azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester;8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-[(4-fluorobenzoyl)oxy]-8-Methyl-, Methyl ester, (1R,2R,3S,5S)-
    3. CAS NO:134507-62-3
    4. Molecular Formula: C17H20FNO4
    5. Molecular Weight: 321.3434032
    6. EINECS: N/A
    7. Product Categories: Aromatics;Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals
    8. Mol File: 134507-62-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 398.92 °C at 760 mmHg
    3. Flash Point: 195.06 °C
    4. Appearance: /
    5. Density: 1.272 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 8.71±0.60(Predicted)
    10. CAS DataBase Reference: 4'-fluorococaine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4'-fluorococaine(134507-62-3)
    12. EPA Substance Registry System: 4'-fluorococaine(134507-62-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 134507-62-3(Hazardous Substances Data)

134507-62-3 Usage

Uses

Used in Pharmaceutical Research:
4'-Fluorococaine is used as a substrate and inhibitor for plasma butyrylcholinesterase, an enzyme involved in the metabolism of various drugs and neurotransmitters. Its application in this field aids in understanding the enzyme's function and the development of new drugs targeting this enzyme.
Used in Drug Metabolism Studies:
As a related compound of cocaine, 4'-fluorococaine is utilized in drug metabolism studies to investigate the effects of structural modifications on the metabolism and pharmacological properties of cocaine and its derivatives. This research can contribute to the development of safer and more effective medications.
Used in Controlled Substances Regulation:
Due to its structural similarity to cocaine, 4'-fluorococaine is classified as a controlled substance. It is used in the development and implementation of regulations and policies related to the control and monitoring of substances with potential for abuse and misuse.

Check Digit Verification of cas no

The CAS Registry Mumber 134507-62-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,4,5,0 and 7 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 134507-62:
(8*1)+(7*3)+(6*4)+(5*5)+(4*0)+(3*7)+(2*6)+(1*2)=113
113 % 10 = 3
So 134507-62-3 is a valid CAS Registry Number.

134507-62-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

1.2 Other means of identification

Product number -
Other names methyl (1R,2R,3S,5S)-3-(4'-fluorobenzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

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:134507-62-3 SDS

134507-62-3Relevant articles and documents

Modulating cocaine vaccine potency through hapten fluorination

Cai, Xiaoqing,Tsuchikama, Kyoji,Janda, Kim D.

supporting information, p. 2971 - 2974 (2013/04/10)

Cocaine addiction is a long-lasting relapsing illness characterized by cycles of abuse, abstinence, and reinstatement, and antibody-based therapies could be a powerful therapeutic approach. Herein, we explored the possibility of using halogenated cocaine haptens to enhance the immunological properties of anti-cocaine vaccines. Three fluorine-containing cocaine haptens (GNF, GNCF and GN5F) and one chlorine-containing cocaine hapten (GNCl) were designed and synthesized, based upon the chemical scaffold of the only hapten that has reached clinical trials, succinyl norcocaine (SNC). Hapten GNF was found to retain potent cocaine affinity, and also elicit antibodies in a higher concentration than the parent structure SNC. Our data suggests that not only could strategic hapten fluorination be useful for improving upon the current cocaine vaccine undergoing clinical trials, but it may also be a valuable new approach, with application to any of the vaccines being developed for the treatment of drugs of abuse.