loading...| Preferred Name |
|
|
| 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 alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester (-)-scopolamine (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate Hyoscine (-)-hyoscine 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate Transderm-Scop 6,7-Epoxytropine tropate (-)-Hyoscine scopine (-)-tropate |
|
| Definitions |
A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16794 |
|
| charge |
0 |
|
| database_cross_reference |
ChEMBL:679689 SNOMEDCT:387409009 KEGG COMPOUND:51-34-3 SNOMEDCT:72870001 KEGG DRUG:D00138 KEGG COMPOUND:C01851 NCIt:C47712 DrugBank:DB00747 Reaxys:91904 HMDB:HMDB0003573 PMID:11718188 Wikipedia:Scopolamine MetaCyc:SCOPOLAMINE KEGG:D00138 KNApSAcK:C00002292 KEGG:C01851 CAS:51-34-3 PMID:23334071 |
|
| definition |
A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. |
|
| formula |
C17H21NO4 |
|
| has_alternative_id |
CHEBI:15066 CHEBI:26610 CHEBI:9056 |
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| has_exact_synonym |
(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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester (-)-scopolamine (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate Hyoscine (-)-hyoscine 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate Transderm-Scop 6,7-Epoxytropine tropate (-)-Hyoscine scopine (-)-tropate |
|
| has_role | ||
| id |
CHEBI:16794 |
|
| in_subset | ||
| 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 |
|
| label |
scopolamine |
|
| mass |
303.35290 |
|
| monoisotopicmass |
303.14706 |
|
| notation |
CHEBI:16794 |
|
| smiles |
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |
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| subClassOf |