Homatropine methobromide

C17H24BrNO3CAS 80-49-9370.29 g/mol

N+OOOHBr−
AlcoholEsterQuaternary ammonium

Properties

Molecular formula
C17H24BrNO3
Molar mass
370.29 g/mol
Exact mass
369.0940 Da
Melting point
191–192 °C (decomposes)
logP
-0.96Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
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
80-49-9
SMILES
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2.[Br-]
InChIKey
FUFVKLQESJNNAN-RIMUKSHENA-M
InChI
InChI=1/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+,16?;

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Names and synonyms

31 names · show all
  • 8-Azoniabicyclo[3.2.1]octane, 3-[(2-hydroxy-2-phenylacetyl)oxy]-8,8-dimethyl-, bromide (1:1), (3-endo)-
  • 8-Methylhomatropinium bromide
  • 1αH,5αH-Tropanium, 3α-hydroxy-8-methyl-, bromide, mandelate
  • 8-Azoniabicyclo[3.2.1]octane, 3-[(hydroxyphenylacetyl)oxy]-8,8-dimethyl-, bromide, endo-(±)-
  • 8-Azoniabicyclo[3.2.1]octane, 3-[(hydroxyphenylacetyl)oxy]-8,8-dimethyl-, bromide, (3-endo)-
  • Arkitropin
  • Camatropine
  • Esopin
  • Homapin
  • Homatromide
  • Homatropine methylbromide
  • Malcotran
  • Mesopin
  • Methatropin
  • Methylhomatropine bromide
  • Novatrin
  • Novatrine
  • Novatropine
  • Sed-tems
  • Sethyl
  • Tropinium methobromide mandelate
  • Methylhomatropinium bromide
  • Methylhomatropine hydrobromide
  • Helbatropin
  • Novatropin
  • Homatrocel
  • Homatropil
  • Homolone
  • Methatropine
  • 8-Azoniabicyclo[3.2.1]octane, 3-[(hydroxyphenylacetyl)oxy]-8,8-dimethyl-, bromide, endo-
  • NSC 34399

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Similar compounds

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

Same formula

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