loading...| Preferred Name |
scopolamine |
|
| Synonyms |
alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester (-)-scopolamine (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate (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 Hyoscine (-)-hyoscine 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate Transderm-Scop 6,7-Epoxytropine tropate Scopolamine C17H21NO4 scopine (-)-tropate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16794 |
|
| AHFScode |
12:08.08 |
|
| altId |
CHEBI:15066 CHEBI:26610 CHEBI:9056 |
|
| ATCCode |
N05CM05 A04AD01 S01FA02 |
|
| blocks |
http://purl.obolibrary.org/obo/dinto_3182 http://purl.obolibrary.org/obo/dinto_1005 http://purl.obolibrary.org/obo/dinto_0703 |
|
| CASRN |
51-34-3 |
|
| DBBrand |
transderm-scop |
|
| DBname |
scopolamine |
|
| DBSalt |
scopolamine bromide scopolamine hydrobromide trihydrate scopolamine hyoscine scopolamine hydrobromide |
|
| DBSynonym |
(-)-scopolamine scopine (?)-tropate (-)-hyoscine hyoscine levo-duboisine |
|
| Definition |
A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000218 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0000512 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000645 |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_26619 http://purl.obolibrary.org/obo/CHEBI_60809 http://purl.obolibrary.org/obo/CHEBI_50513 http://purl.obolibrary.org/obo/CHEBI_53784 http://purl.obolibrary.org/obo/CHEBI_48876 http://purl.obolibrary.org/obo/CHEBI_50919 |
|
| 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 |
InChIKey=STECJAGHUSJQJN-FWXGHANASA-N |
|
| inhibits | ||
| label |
scopolamine |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_42944 http://purl.obolibrary.org/obo/dinto_DB00209 http://purl.obolibrary.org/obo/CHEBI_5613 http://purl.obolibrary.org/obo/CHEBI_53289 http://purl.obolibrary.org/obo/dinto_DB00427 http://purl.obolibrary.org/obo/dinto_DB08810 |
|
| prefixIRI |
obo2:CHEBI_16794 |
|
| prefLabel |
scopolamine |
|
| SMILES |
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 |
|
| Synonym |
alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester (-)-scopolamine (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate (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 Hyoscine (-)-hyoscine 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate Transderm-Scop 6,7-Epoxytropine tropate Scopolamine C17H21NO4 scopine (-)-tropate |
|
| xref |
Wikipedia:http://en.wikipedia.org/wiki/Scopolamine DrugBank:DB00747 Drugs Product Database (DPD):2229868 HMDB:HMDB03573 Guide To Pharmacology:330 Reaxys:91904 ChEMBL:679689 IUPHAR:330 Wikipedia:Scopolamine MetaCyc:SCOPOLAMINE KEGG DRUG:D00138 PharmGKB:PA451308 CiteXplore:23334071 BindingDB:50015720 NIST Chemistry WebBook:51-34-3 ChEBI:16794 CASRN:51-34-3 CiteXplore:11718188 KEGG COMPOUND:C01851 Drugs.com:http://www.drugs.com/cdi/scopolamine-drops.html National Drug Code Directory:0067-4345-04 |
|
| subClassOf |