OntologiesefoclassesCHEBI:61276   
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scopolamine methobromideImported
http://purl.obolibrary.org/obo/CHEBI_61276

A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.

Defined bychebi
Also appears inprideslm
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
has_obo_namespace

chebi_ontology

inchikey

CXYRUNPLKGGUJF-RAFJPFSSSA-M

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

in_subset

3_STAR

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

class Relations