CAS 6533-68-2: Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-
Description:Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-, with CAS number 6533-68-2, is a complex organic compound characterized by its unique tricyclic structure and the presence of both hydroxymethyl and ester functional groups. This compound exhibits properties typical of both aromatic and aliphatic compounds, contributing to its potential reactivity and solubility characteristics. The hydrobromide form indicates that it is a salt, which may enhance its stability and solubility in polar solvents. The hydrate designation suggests that it can associate with water molecules, influencing its physical properties such as melting point and solubility. The stereochemistry indicated by (αS)- suggests specific spatial arrangements of atoms, which can affect the compound's biological activity and interactions. Overall, this compound may have applications in medicinal chemistry or as a biochemical probe, although specific uses would depend on further research into its properties and behavior in biological systems.
Formula:C17H21NO4·BrH·3H2O
InChI:InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1
InChI key:InChIKey=LACQPOBCQQPVIT-SEYKEWMNSA-N
SMILES:Br.O=C(OC1CC2N(C)C(C1)C3OC32)C(C=4C=CC=CC4)CO.O
- Synonyms:
- (1R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate
- (1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoatato hydrobromide trihydrate
- (1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide trihydrate
- 3-Oxa-9-azatricyclo[3.3.1.0<sup>2,4</sup>]nonane, benzeneacetic acid deriv.
- 9-Methyl-3-Oxa-9-Azatricyclo[3.3.1.0~2,4~]Non-7-Yl 3-Hydroxy-2-Phenylpropanoate
- Atroscine hydrobromide trihydrate
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, (αS)-
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0<sup>2,4</sup>]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-
- Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0<sup>2,4</sup>]non-7-yl ester, hydrobromide, trihydrate, (αS)-
- See more synonyms
- Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, [7(S)-(1α,2β,4β,5α,7β)]-
- Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0<sup>2,4</sup>]non-7-yl ester, hydrobromide, trihydrate, [7(S)-(1α,2β,4β,5α,7β)]-
- Hyoscine hydrobromide trihydrate
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.
![Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]n…](https://static.cymitquimica.com/cas-image/2649-benzeneacetic-acid-a-hydroxymethyl-1a-2b-4b-5a-7b-9-methyl-3-oxa-9-azatricyclo-3-3-1-024-non-7-yl-ester-hydrobromide-hydrate-1-1-3-as.png)
