8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-

CAS Registry Number®

15130-91-3

CAS Name

8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-

Molecular Formula

C20H29NO6S

Cite this Page

8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15130-91-3 (retrieved 2024-11-22) (CAS RN: 15130-91-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1/C20H29NO6S/c1-21(10-5-11-28(24,25)26)16-8-9-17(21)13-18(12-16)27-20(23)19(14-22)15-6-3-2-4-7-15/h2-4,6-7,16-19,22H,5,8-14H2,1H3/t16-,17+,18+,19?,21?

InChIKey

InChIKey=PIWAVOGXKRZQCB-BHIXFJMTNA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]1(C)[C@]2(C[C@H](OC(C(CO)C3=CC=CC=C3)=O)C[C@@]1(CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2CCC(C1)[N+]2(C)CCCS(=O)(=O)[O-])C(C=3C=CC=CC3)CO

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-(3-sulfopropyl)-, hydroxide, inner salt, (±)-tropate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, endo-(±)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, endo-
  • 8-(3-Sulfopropyl)atropinium hydroxide inner salt

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