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
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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
C20H29NO6SCite 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 ) (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
