WHC is still in active development. Read this to understand our approach.
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tripsit

scopolamine

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isomerdesign

Scopolamine

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pubchem

Hyoscine

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Scopolamine

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Scopolamine

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Data

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

Synonyms: CHEBI:16794,(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate, Hydroscine hydrobromide,NCGC00024357-05, Hysco,ATROPINE SULFATE IMPURITY F [EP IMPURITY],Tropic acid, ester with scopine,SCOPOLAMINE [MI], L-Hyoscine hydrobromide,Scopoderm,HYOSCINE [MART.],HYOSCINE [EP MONOGRAPH],AB00429689-31,LSM-4015,S-(-)-Tropate,Hyoscyine hydrobromide,SCHEMBL22393238, Scop,Hyoscine,BENZENEACETIC ACID, .ALPHA.(HYDROXYMETHYL)-,(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (.ALPHA.S)-,Hysco,EINECS 200-090-3,Prestwick3_000877,AB00429689_32,SCOPOLAMINE BROMIDE,CCG-267504, SCOPOLAMINE BROMIDE, Isoscopil,Skopolamin,(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,Hyosceine,(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (2R)-3-hydroxy-2-phenylpropanoate, Transderm scop (TN),(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate,Transderm scop,SEE,Atroscine Hydrobromide,(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,(methyl[?]yl) (2S)-3-hydroxy-2-phenyl-propanoate,l-Scopolamine-hydrobromide,HYOSCINE [EP IMPURITY],l-Scopolamine,Hyoscine hydrobromide,6beta,7beta-Epoxy-3-alpha(1alphaH,5alphaH)-tropanyl(-)-tropate,BRD-K89923877-003-02-4,Euscopol, Borrachero (TN),HSDB 4074,Scopolamine HCl,SCOPOLAMINE [ORANGE BOOK],BDBM50263508,CHEMBL3084722,CHEMBL1906925,(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate, 3-Oxa-9-azatricyclo(3.3.1.O(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester),[7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester,Scopamin,Scopace,DB00747, Sereen,alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester,Atroquin,Hydroscine hydrobromide,Scopolamine dried down 100 microg/mL,DL48G20X8X,Scopolaminium bromide,6,7-Epoxytropine tropate,Hyosol, Hyosceine,SCOPOLAMINE [USP IMPURITY],l-Hyoscine hydrobromide,(-)-Hyoscine hydrobromide,EC 200-090-3, Burundanga (TN), Scopolamine Hyoscine,(+)-Hyoscine, Hyoscine bromide,[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate,SCHEMBL16226,BSPBio_000953,Hyoscine bromide, Hyocine F hydrobromide,SCOPOLAMINE [VANDF], Tranaxine,NSC61806,Scopine tropate,Isoscopil,SMP1_000270,Beldavrin,6beta,7beta-Epoxy-3alpha-tropanyl S-(-)-tropate,3-Oxa-9-azatricyclo(3.3.1.0(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester),51-34-3, Scopamin, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate,Scopolamine 100 microg/mL in Acetonitrile,ZINC13118910,(+/-)-Hyoscine,BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-,scopolamine,6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate, Scopolammonium bromide,Scopolammonium bromide,BPBio1_001049, Levo-duboisine (TN), Scopoderm-TTS,Q27165268,(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,Atrochin,3-Oxa-9-azatricyclo(3.3.1.O(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester), Triptone,(-)-Scopolamine bromide,EN300-1718536, Scopos,CHEMBL569713,Epoxytropine tropate,Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester,(1R,2R,4S,5S,7S)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATE,Isopto Hyoscine, Tropane alkaloid, Hyoscyine hydrobromide,1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester),hydrobromicum, Scopolaminum, Transcop,Scopolamine,CS-6609,CHEBI:93572,6.beta.,7.beta.-Epoxy-1.alpha.H,5.alpha.H-tropan-3.alpha.-ol (-)-tropate (ester),(-)-Hyoscine, Scopolamine (INN), SEE,HMS2090N13,(-)-Scopolamine,(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate,6beta,7beta-Epoxy-1alpha,5alpha-tropan-3alpha-ol, NCI61806,UNII-DL48G20X8X,Scopolamine hydrobromide,HYOSCINE [WHO-DD],AKOS025402477,levo-duboisine, 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester), MOLI001381,AB00429689-30,Tranaxine,Boro-Scopol, Scopolaminhydrobromid,Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epo,ZINC100037020,Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, (alphaS)-, Xy-, (-)-tropate (ester),AB00429689,AC-968,HMS3886L22,Q337188, Kwells,HY-N0296,DTXSID6023573,Scopine (-)-tropate,Atroscine,SCOPOLAMINE [HSDB], (-)-Scopolamine hydrobromide trihydrate,s9326,Tropane alkaloid, Euscopol, Hyoscine (TN), Atroscine Hydrobromide,138-12-5,ZINC101147375,NCGC00024357-04,GTPL330,Scop, Scopolaminium bromide,Transderm-Scop,Kwells

Estimated data

Solubility: -1.729 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 29.9% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.