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CAS 6835-16-1

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Benzeneacetic acid, α-(hydroxymethyl)-, (αS)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:2)

Description:
Benzeneacetic acid, α-(hydroxymethyl)-, (αS)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:2), with CAS number 6835-16-1, is a complex organic compound characterized by its bicyclic structure and functional groups. This substance features a bicyclo[3.2.1]octane framework, which contributes to its unique stereochemistry and potential biological activity. The presence of a sulfate group indicates that it may exhibit polar characteristics, enhancing its solubility in aqueous environments. The hydroxymethyl group suggests potential for hydrogen bonding, which can influence its reactivity and interactions with biological targets. As a hydrate, it contains water molecules in its crystalline structure, which can affect its stability and solubility. This compound may be of interest in medicinal chemistry due to its structural complexity and potential pharmacological properties, although specific applications and biological activities would require further investigation. Overall, its unique structural features and functional groups make it a noteworthy subject for research in organic and medicinal chemistry.
Formula:C34H52N2O12S
InChI:InChI=1/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14?,15+,16?;/m00./s1
InChI key:InChIKey=PVGPXGKNDGTPTD-GANFQJSASA-N
SMILES:S(=O)(=O)(O)O.O(C([C@H](CO)C1=CC=CC=C1)=O)[C@@H]2C[C@]3(N(C)[C@@](C2)(CC3)[H])[H].O
Synonyms:
  • 1αH-Tropan-3α-ol, (-)-tropate (ester), sulfate (2:1), dihydrate
  • 8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1)
  • Benzeneacetic acid, α-(hydroxymethyl)-, (αS)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:2)
  • Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]-, sulfate (2:1) (salt), dihydrate
  • Hyoscyamine Sulphate
  • Hyoscyamine sulfate hydrate
  • L-Hyoscyamine Hemisulfate
  • HYOSCYAMINE SULFATE DIHYDRATE
  • HOSCYAMINE SULFATE USP
  • Hyoscyamine Sulfate (125 mg)
  • See more synonyms
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