OntologiesslmclassesCHEBI:16794   
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scopolamineImported
http://purl.obolibrary.org/obo/CHEBI_16794

A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol.

Defined bychebi
Also appears inprideefodrongo
Exact Synonyms
(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate
scopolamine
Scopolamine
Related Synonyms
(-)-Hyoscine
(-)-hyoscine
(-)-scopolamine
(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
6,7-Epoxytropine tropate
6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate
alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester
Hyoscine
scopine (-)-tropate
Transderm-Scop
class Information
charge

0

formula

C17H21NO4

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1

inchikey

STECJAGHUSJQJN-FWXGHANASA-N

in_subset

3_STAR

mass

303.35290

monoisotopicmass

303.14706

smiles

CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1

class Relations