Cinnamoylcocaine is a tropane alkaloid found in trace amounts in the leaves of the coca plant, Erythroxylum coca. It is chemically classified as a phenyltropane, a broad category that also includes many substances which are potential substitutes for cocaine. Cinnamoylcocaine is structurally similar to cocaine but less potent due to the presence of a cinnamoyl moiety on its nitrogen atom.

521-67-5

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Basic information
1. Product Name: cinnamoylcocaine
2. Synonyms: 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 8-methyl-3-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester,(1R,2R,3S,5S)- (9CI); 8-Azabicyclo[3.2.1]octane-2-carboxylic acid,8-methyl-3-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester, [1R-(exo,exo)]-;Ecgonine, methyl ester, cinnamate (6CI,7CI); Ecgonine, methyl ester, cinnamate(ester) (8CI); Cinnamic acid, ester with ecgonine methyl ester (8CI);Cinnamoylcocaine; Cinnamoylecgonine methyl ester; Cinnamylcocaine; Ecgoninecinnamate methyl ester
3. CAS NO:521-67-5
4. Molecular Formula: C₁₉H₂₃NO₄
5. Molecular Weight: 329.39
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 521-67-5.mol
Chemical Properties
1. Melting Point: 121°
2. Boiling Point: 437.8°Cat760mmHg
3. Flash Point: 218.5°C
4. Appearance: /
5. Density: 1.2g/cm³
6. Vapor Pressure: 7.29E-08mmHg at 25°C
7. Refractive Index: 1.573
8. Storage Temp.: N/A
9. Solubility: N/A
10. PKA: 8.76±0.60(Predicted)
11. CAS DataBase Reference: cinnamoylcocaine(CAS DataBase Reference)
12. NIST Chemistry Reference: cinnamoylcocaine(521-67-5)
13. EPA Substance Registry System: cinnamoylcocaine(521-67-5)
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: 521-67-5(Hazardous Substances Data)

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Uses

Used in Pharmaceutical Research:
Cinnamoylcocaine is used as a research compound for understanding the pharmacological and toxicological aspects of cocaine addiction and abuse. Its structural similarity to cocaine, yet lower potency, makes it a valuable tool in studying the effects and potential treatments related to cocaine use.
Used in Drug Development:
Cinnamoylcocaine is used as a potential substitute for cocaine in the development of new drugs. Its lower potency compared to cocaine may offer a safer alternative for certain therapeutic applications, although further research is needed to explore its potential in this area.
Used in Toxicological Studies:
Cinnamoylcocaine is used as a reference compound in toxicological studies to compare the effects of different coca alkaloids on the human body. This helps researchers to better understand the risks and potential harm associated with the use of cocaine and related substances.

Check Digit Verification of cas no

The CAS Registry Mumber 521-67-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 1 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 521-67:
(5*5)+(4*2)+(3*1)+(2*6)+(1*7)=55
55 % 10 = 5
So 521-67-5 is a valid CAS Registry Number.

InChI:InChI=1/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16-,18+/m0/s1

521-67-5Upstream product

102-92-1 cinnamoyl chloride

521-67-5Downstream Products

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