Atropine methyl bromide
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
2870-71-5SMILES
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.[Br-]InChIKey
XMLNCADGRIEXPK-KUMOIWDRNA-MInChI
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?;Weigh it out
Type any one amount. The others follow from the molar mass.
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
Ipratropium bromide22254-24-677 % similar
(-)-Scopolamine methobromide155-41-973 % similar
Ipratropium bromide monohydrate66985-17-973 % similar
Homatropine methobromide80-49-972 % similar
(-)-Atropine101-31-560 % similar
(±)-Atropine51-55-860 % similar
Methscopolamine nitrate6106-46-358 % similar
Buscopan149-64-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds