| 2D Structure | |
| CID | 3000322 |
| Target | CHRM1 , CHRM2 , CHRM3 , CHRM4 |
| IUPAC Name | [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate |
| 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 |
| InChI Key | STECJAGHUSJQJN-USLFZFAMSA-N |
| Canonical SMILES | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 |
| Isomeric SMILES | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4 |
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.35 |
| synonyms | ['scopolamine', '(-)-Hyoscine', 'Scopine (-)-tropate', 'Scopine tropate', 'Hyosol', 'Scopace', 'Transderm-Scop', 'Boro-Scopol', 'Atrochin', 'Atroquin', 'Skopolamin', 'l-Scopolamine', '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', 'Hyosceine', 'DL48G20X8X', 'Tropic acid, ester with scopine', 'CHEBI:16794', '(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate', '1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester)', 'Scopoderm', 'levo-duboisine', '(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', 'hydrobromicum, Scopolaminum', 'UNII-DL48G20X8X', 'tropic acid ester with scopine', 'HSDB 4074', 'EINECS 200-090-3', 'KIMITE', 'HYOSCINE [MART.]', 'EC 200-090-3', '6beta,7beta-Epoxy-3alpha-tropanyl S-(-)-tropate', 'Scopolamine Trandermal System', 'scolopamine transdermal system', '6beta,7beta-Epoxy-1alpha,5alpha-tropan-3alpha-ol', 'HYOSCINE [EP IMPURITY]', 'DTXCID603573', 'HYOSCINE [EP MONOGRAPH]', 'DTXSID6023573', 'SCOPOLAMINE [USP IMPURITY]', 'Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester', '3-Oxa-9-azatricyclo(3.3.1.0(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester)', '3-Oxa-9-azatricyclo(3.3.1.O(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester)', '6BETA, 7BETA-EPOXY-1ALPHA,5ALPHA-TROPAN-3ALPHA-OL', '1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-,(-)-tropate(ester)', '6beta,7beta-Epoxy-1alphaH,5alphaH-tropan-3alpha-ol (-)-tropate (ester)', 'ALPHA-(HYDROXYMETHYL)BENZENEACETIC ACID 9-METHYL-3-OXA-9-AZATRICYCLO', '(1R,2R,4S,5S,7S)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATE', '(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate', '200-090-3', '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)-', '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)-', 'BENZENEACETIC ACID, ALPHA-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.0(2,4))NON-7-YL ESTER, (7(S)-(1ALPHA,2BETA, 4BETA,5ALPHA,7BETA))-', '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))-', '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)-', 'Hyoscine', '51-34-3', '(-)-Scopolamine', '6,7-Epoxytropine tropate', 'Isopto Hyoscine', 'Beldavrin', 'Scopamin', 'Transcop', 'Scop', 'CHEMBL3084722', 'Tranaxine', 'Hysco', 'Transderm scop', 'Scopolamine HCl', 'l-Hyoscine hydrobromide', 'SEE', 'l-Scopolamine-hydrobromide', '(+)-Hyoscine', '(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', 'Hyoscyine hydrobromide', 'Hydroscine hydrobromide', 'Tropane alkaloid', '6.beta.,7.beta.-Epoxy-1.alpha.H,5.alpha.H-tropan-3.alpha.-ol (-)-tropate (ester)', 'NSC61806', 'S-(-)-Tropate', 'SCOPOLAMINE [MI]', 'Prestwick3_000877', 'SCOPOLAMINE [HSDB]', 'HYOSCINE [WHO-DD]', 'SCOPOLAMINE [VANDF]', '(-)-Scopolamin (Hyoscine)', 'SCHEMBL16226', 'BSPBio_000953', 'GTPL330', 'BPBio1_001049', 'CHEMBL569713', 'CHEMBL1906925', 'SCHEMBL22393238', 'CHEBI:93572', 'SCOPOLAMINE [ORANGE BOOK]', 'STECJAGHUSJQJN-FWXGHANASA-N', 'HMS2090N13', 'HMS3886L22', '(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate', 'HY-N0296', 'LSM-4015', 'MSK10286', 'AC-968', 'BDBM50263508', 's9326', 'AKOS025402477', 'Scopolamine dried down 100 microg/mL', 'CCG-267504', 'CS-6609', 'DB00747', 'FS16424', 'SMP1_000270', 'NCGC00024357-04', 'NCGC00024357-05', '1ST10286', 'DA-67494', 'Scopolamine 100 microg/mL in Acetonitrile', 'AB00429689', 'AB00429689-30', 'AB00429689-31', 'AB00429689_32', 'EN300-1718536', 'ATROPINE SULFATE IMPURITY F [EP IMPURITY]', 'Q337188', '(methyl[?]yl) (2S)-3-hydroxy-2-phenyl-propanoate', 'BRD-K89923877-003-02-4', 'BRD-K89923877-004-15-4', 'BRD-K89923877-004-16-2', 'Q27165268', '(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', '(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate', '(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', '(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', '(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (2R)-3-hydroxy-2-phenylpropanoate', '[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate', '[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', '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)-', '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.))-', 'OW0'] |
From Pubchem