Atropine methyl bromide

C18H26BrNO3CAS 2870-71-5384.31 g/mol

N+OOOHBr−
AlcoholEsterQuaternary ammonium

Properties

Molecular formula
C18H26BrNO3
Molar mass
384.31 g/mol
Exact mass
383.1096 Da
Melting point
222–223 °C
logP
-0.92Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
R, S, rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2870-71-5
SMILES
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.[Br-]
InChIKey
XMLNCADGRIEXPK-KUMOIWDRNA-M
InChI
InChI=1/C18H26NO3.BrH/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;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16+,17?;

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Names and synonyms

16 names · show all
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide (1:1), (3-endo)-
  • 8-Methylatropinium bromide
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, bromide, (±)-tropate
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, endo-(±)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, (3-endo)-
  • Atropine methobromide
  • Hyoscyamine methyl bromide
  • Methylatropine bromide
  • Methylatropinium bromide
  • N-Methylatropine bromide
  • Mintussin
  • Mydriasin
  • Tropin
  • N-Methylatropinium bromide
  • 8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8,8-dimethyl-, bromide, endo-
  • NSC 61810

Work with Atropine methyl bromide

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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