scopolamine methobromideImported
A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.
Defined bychebi
Exact Synonyms
(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
Related Synonyms
(-)-(1S,3s,5R,6R,7S)-6,7-epoxy-8-methyl-3-[(S)-tropoyloxy]tropanium bromide
(-)-scopolamine methobromide
(-)-scopolamine methyl bromide
(S)-6beta,7beta-epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide
hyoscine methobromide
hyoscine methyl bromide
methscopolamine bromide
methylscopolamine bromide
N-methylhyoscine bromide
N-methylscopolammonium bromide
Pamine
scopolamine methyl bromide
class Information
charge
0
formula
C18H24BrNO4
has_dbxref
- CAS:155-41-9
- DrugBank:DB00462
- DrugBank:DB00747
- KEGG:D00715
- Patent:US2753288
- Reaxys:8173227
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1
inchikey
CXYRUNPLKGGUJF-RAFJPFSSSA-M
in_subset
mass
398.29100
monoisotopicmass
397.08887
smiles
[Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1