Atropine methyl nitrate

CAS Registry Number®

52-88-0

CAS Name

Atropine methyl nitrate

Molecular Formula

C18H26NO3.NO3

Cite this Page

Atropine methyl nitrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52-88-0 (retrieved 2024-11-21) (CAS RN: 52-88-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1/t14-,15+,16+,17?;

InChIKey

InChIKey=NEDVJZNVOSNSHF-KUMOIWDRNA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-, nitrate (1:1)
  • 8-Methylatropinium nitrate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, endo-(±)-, nitrate (salt)
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, nitrate, (±)-tropate (ester)
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, (3-endo)-, nitrate (salt)

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Deleted or Replaced CAS Registry Numbers

23599-77-1, 56480-80-9, 64788-67-6, 66027-67-6, 87734-61-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration