CAS 43021-26-7

(-)-Anhydroecgonine methyl ester

Description:

(-)-Anhydroecgonine methyl ester is a chemical compound derived from the alkaloid ecgonine, which is a precursor to cocaine. It is characterized by its molecular structure, which includes a methyl ester functional group and an anhydroecgonine backbone. This compound is typically a white crystalline solid and is soluble in organic solvents such as ethanol and chloroform, but has limited solubility in water. Its chemical formula reflects the presence of carbon, hydrogen, and oxygen atoms, which contribute to its properties and reactivity. (-)-Anhydroecgonine methyl ester is of interest in various fields, including medicinal chemistry and pharmacology, due to its potential applications in drug development and synthesis. Additionally, it is important to handle this compound with care, as it may have psychoactive effects similar to those of its parent compound, cocaine. Safety precautions should be observed when working with this substance in laboratory settings.

Formula: C₁₀H₁₅NO₂

InChI: InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1

InChI key: InChIKey=MPSNEAHFGOEKBI-VXNVDRBHSA-N

SMILES: C(OC)(=O)C=1[C@@]2(N(C)[C@@](CC2)(CC1)[H])[H]

Synonyms:

• (-)-Anhydroecgonine methyl ester
• (R)-(-)-Anhydroecgonine methyl ester
• 8-Azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1R,5S)-
• 8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1R)-
• Ecgonidine methyl ester
• Methyl ecgonidine

Anhydroecgonine Methyl Ester 1.0 mg/ml in Acetonitrile

Controlled Product

CAS: 43021-26-7

Color and Shape: Single Solution

Ref: 61-AMP1345.03-11

Anhydroecgonine Methyl Ester

Controlled Product

CAS: 43021-26-7

Color and Shape: Neat

Ref: 61-FOR1345.03

Ecgonidine Methyl Ester (1 mg/ml in Acetonitrile)

Controlled Product

CAS: 43021-26-7

Formula: C₁₀H₁₅NO₂

Color and Shape: Colourless

Molecular weight: 181.23

Ref: TR-KIT4495

Ecgonidine Methyl Ester

Controlled Product

CAS: 43021-26-7

Applications A metabolite of Cocaine (COC). It is a pyrolysis product formed when crack cocaine is smoked, making this substance a useful biomarker to specifically test for use of crack cocaine, as opposed to powder cocaine which does not form methylecgonidine as a metabolite.Controlled substance in some countries.
References Casale, J., et al.: J. Pharm. Sci., 83, 1186 (1994), Koren, G., et al.: J. Clin. Pharmacol., 32, 671 (1992), Mieczkowski, T., et al.: Forensic. Sci. Int., 84, 87 (1997), Schaffer, M., et al.: J. Anal. Toxicol., 26, 485 (2002),

Formula: C₁₀H₁₅NO₂

Color and Shape: Neat

Molecular weight: 181.23

Ref: TR-E325300