CAS 5978-81-4

Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, endo-

Description:

Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, endo- is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring, contributing to its classification as an azabicyclic compound. The presence of the benzeneacetic acid moiety indicates that it has both aromatic and carboxylic acid characteristics, although the acid group is esterified in this compound. The hydrochloride form suggests that it is a salt, which typically enhances its solubility in water and may influence its pharmacological properties. This compound is of interest in medicinal chemistry, particularly for its potential biological activity, which may include effects on neurotransmitter systems due to its structural similarity to certain neurotransmitters. Its stereochemistry, indicated by the "endo" descriptor, suggests a specific spatial arrangement of its substituents, which can significantly affect its reactivity and interaction with biological targets. Overall, this compound exemplifies the complexity and diversity of organic molecules used in pharmaceutical applications.

Formula: C₁₇H₂₁NO₂·ClH

InChI: InChI=1/C17H21NO2.ClH/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2;/h3-7,14-16H,1,8-11H2,2H3;1H/t14-,15+,16+;

InChI key: InChIKey=RALAARQREFCZJO-CNKDKAJDNA-N

SMILES: O(C(C(=C)C1=CC=CC=C1)=O)[C@H]2C[C@@]3(N(C)[C@](C2)(CC3)[H])[H].Cl

Synonyms:

• 1α<span class="text-smallcaps">H</smallcap>,5α<smallcap>H</span>-Tropan-3α-ol, atropate (ester), hydrochloride
• 8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl 2-Phenylprop-2-Enoate Hydrochloride (1:1)
• Apoatropine HCl
• Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, endo-
• 1αH,5αH-Tropan-3α-ol, atropate (ester), hydrochloride
• Apoatropine hydrochloride
• Apoatropine, hydrochloride

Atropine EP Impurity A HCl (Hyoscyamine EP Impurity G HCl, Apoatropine HCl)

CAS: 5978-81-4

Formula: C₁₇H₂₁NO₂·HCl

Molecular weight: 271.36 36.46

Ref: 4Z-A-151038

Atropine EP Impurity A (Hyoscyamine Sulfate Impurity G) as Hydrochloride

Controlled Product

CAS: 5978-81-4

Formula: C₁₇H₂₁NO₂·ClH

Color and Shape: Neat

Molecular weight: 307.82

Ref: 86-MM0289.01

Apoatropine hydrochloride

CAS: 5978-81-4

Natural alkaloid

Formula: C₁₇H₂₁NO₂HCl

Purity: ≥ 90.0 % (HPLC)

Color and Shape: Solid

Molecular weight: 307.82

Ref: 5G-84088

Apoatropine Hydrochloride

CAS: 5978-81-4

Applications Apoatropine is an alkaloid derivative with the potential to be an antibacterial.
References Cherkaoui, S. et al.: Electrophor., 19, 2900 (1998); Marrero-Ponce, Y. et al.: Bioorg. Med. Chem., 13, 2881 (2005);

Formula: C₁₇H₂₁NO₂·ClH

Color and Shape: White To Off-White

Molecular weight: 307.82

Ref: TR-A729050

Apoatropine hydrochloride

CAS: 5978-81-4

Apoatropine hydrochloride is a medication that is used to treat spasms, including those caused by multiple sclerosis. It belongs to the class of drugs called spasmolytics and works by blocking nerve impulses. Apoatropine hydrochloride can be found in atropine sulfate, which is a pharmaceutical dosage form of apoatropine. This drug has been shown to contain impurities such as nitro compounds and nitroethane. Nitro compounds are products of the reaction between nitric acid and organic substances such as amino acids, proteins, or sugars. Nitro compounds are also used in the production of explosives such as TNT and other high-performance liquid chromatography (HPLC) calibration standards.

Formula: C₁₇H₂₂ClNO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 307.8 g/mol

Ref: 3D-FAA97881