CAS 6106-81-6: Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-

Description: Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-, with CAS number 6106-81-6, is a complex organic compound characterized by its unique tricyclic structure and the presence of multiple functional groups. This compound features a benzeneacetic acid moiety, which contributes to its acidic properties, and a hydroxymethyl group that enhances its reactivity. The hydrobromide salt form indicates that it is combined with hydrobromic acid, which can affect its solubility and stability in various solvents. The stereochemistry denoted by (αS)- suggests specific spatial arrangements of atoms, which can influence its biological activity and interactions. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry. Its intricate structure and functional groups suggest potential applications in drug development, though specific biological activities would require further investigation. Overall, this compound exemplifies the complexity often found in organic chemistry, particularly in the design of biologically active molecules.

Formula: C₁₇H₂₁NO₅·BrH

InChI: InChI=1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+,18?;/m1./s1

InChI key: InChIKey=MGNNYKWRWHQLCR-FDJOISAFSA-N

SMILES: Br.O=C(OC1CC2C3OC3C(C1)N2(=O)C)C(C=4C=CC=CC4)CO

Synonyms:

• (1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide
• (1S,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide
• (1S,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide (1:1)
• 1α<span class="text-smallcaps">H</smallcap>,5α<smallcap>H</span>-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester), 8-oxide, hydrobromide
• 3-Oxa-9-azatricyclo[3.3.1.0^2,4]nonane, benzeneacetic acid deriv.
• 9-Methyl-9-Oxido-3-Oxa-9-Azatricyclo[3.3.1.0~2,4~]Non-7-Yl 3-Hydroxy-2-Phenylpropanoate
• Aminoxyscopolamine hydrobromide
• Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0^2,4]non-7-yl ester, hydrobromide (1:1), (αS)-
• Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0^2,4]non-7-yl ester, hydrobromide, (αS)-
• Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0^2,4]non-7-yl ester, N-oxide, hydrobromide, [7(S)-(1α,2β,4β,5α,7β)]-
• Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0^2,4]non-7-yl ester, hydrobromide, [7(S)-(1α,2β,4β,5α,7β)]-
• N-(3-chloro-4-methylphenyl)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• NSC 61807
• Scopolamine aminoxide hydrobromide
• Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, (αS)-
• 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester), 8-oxide, hydrobromide
• Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-
• Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, N-oxide, hydrobromide, [7(S)-(1α,2β,4β,5α,7β)]-
• Scopolamine, N-oxide, hydrobromide

SCOPOLAMINE N-OXIDE HYDROBROMIDE

CAS: 6106-81-6

• Formula: C₁₇H₂₂BrNO₅
• Purity: 98%
• Molecular weight: 400.2643

Hyoscine N-Oxide Hydrobromide

CAS: 6106-81-6

• Formula: C₁₇H₂₁NO₅·BrH
• Color and Shape: Neat
• Molecular weight: 400.26

Scopolamine n-oxide hydrobromide

CAS: 6106-81-6

Natural alkaloid

• Formula: C₁₇H₂₁NO₅HBr
• Purity: ≥ 98.0 % (HPLC)
• Color and Shape: Powder
• Molecular weight: 400.26

Scopolamine N-Oxide Hydrobromide Monohydrate

CAS: 6106-81-6

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• Formula: C₁₇H₂₁NO₅·HBr·H₂O
• Purity: Min. 95%
• Molecular weight: 418.29 g/mol