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CAS 6533-68-2: Ácido bencenoacético, α-(hidroximetil)-, (1α,2β,4β,5α,7β)-9-metil-3-oxa-9-azatriciclo[3.3.1.02,4]non-7-il éster, hidrobromuro, hidrato (1:1:3), (αS)-

Descripción:
Ácido bencenoacético, α-(hidroximetil)-, (1α,2β,4β,5α,7β)-9-metil-3-oxa-9-azatriciclo[3.3.1.02,4]non-7-il éster, hidrobromuro, hidrato (1:1:3), (αS)-, con número CAS 6533-68-2, es un compuesto orgánico complejo caracterizado por su estructura tricíclica única y la presencia de grupos funcionales tanto hidroximetilo como éster. Este compuesto exhibe propiedades típicas de compuestos aromáticos y alifáticos, lo que contribuye a su potencial reactividad y características de solubilidad. La forma de hidrobromuro indica que es una sal, lo que puede mejorar su estabilidad y solubilidad en disolventes polares. La designación de hidratado sugiere que puede asociarse con moléculas de agua, influyendo en sus propiedades físicas como el punto de fusión y la solubilidad. La estereoquímica indicada por (αS)- sugiere arreglos espaciales específicos de átomos, que pueden afectar la actividad biológica del compuesto y sus interacciones. En general, este compuesto puede tener aplicaciones en química medicinal o como sonda bioquímica, aunque los usos específicos dependerían de investigaciones adicionales sobre sus propiedades y comportamiento en sistemas biológicos.
Fórmula: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
Clave InChI:InChIKey=LACQPOBCQQPVIT-SEYKEWMNSA-N
SMILES:CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H].Br.O
Sinónimos:
  • (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)-
  • 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)]-
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