Butylscopolamine
CAS Registry Number®
7182-53-8
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CAS Name
ButylscopolamineMolecular Formula
C21H30NO4Cite this Page
Butylscopolamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7182-53-8 (retrieved ) (CAS RN: 7182-53-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1
InChIKey
InChIKey=YBCNXCRZPWQOBR-WVHCHWADSA-N
SMILES
C(CCC)[N+]1(C)[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]
Canonical SMILES
O=C(OC1CC2C3OC3C(C1)[N+]2(C)CCCC)C(C=4C=CC=CC4)CO
Other Names for this Substance
- 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-butyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-, (1α,2β,4β,5α,7β)-
- 1αH,5αH-Tropanium, 8-butyl-6β,7β-epoxy-3α-hydroxy-, (-)-tropate (ester)
- 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, [7(S)-(1α,2β,4β,5α,7β)]-
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, 3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane deriv.
- (1α,2β,4β,5α,7β)-9-Butyl-7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
Deleted or Replaced CAS Registry Numbers
12764-68-0
