Details of the Active Pharmaceutical Ingredient (API)
| General Information of API (ID: D00681) | |||||
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| Name |
Tiotropium
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| Synonyms |
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Tiotropium; Spiriva; 186691-13-4; tiotropium cation; BA 679 BR; UNII-0EB439235F; BA-679-BR; CHEMBL1900528; 0EB439235F; [3H]tiotropium; (1r,2r,4s,5s,7s)-7-{[hydroxy(Dithiophen-2-Yl)acetyl]oxy}-9,9-Dimethyl-3-Oxa-9-Azoniatricyclo[3.3.1.0~2,4~]nonane; NCGC00167971-01; (1R,2R,4S,5S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium; GTPL367; GTPL8592; SCHEMBL4662461; CHEMBL3305968; DTXSID5044281; CHEBI:90960; BDBM50066861; ZINC13900863; ZINC100008319; ZINC145199092; DB01409; AB01274813-01; AB01274813-02; AB01274813-03; Q424316; Q27088996; (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane; (1beta,5beta)-3beta-[[Hydroxybis(2-thienyl)acetyl]oxy]-8,8-dimethyl-6beta,7beta-epoxy-8-azoniabicyclo[3.2.1]octane; [(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate; 7-((hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane
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| Clinical Status |
Approved
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| Disease Indication | Chronic obstructive pulmonary disease | ICD-11: CA22 | [1] | ||
| PubChem CID | |||||
| Formula |
C19H22NO4S2+
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| Canonical SMILES |
C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
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| InChI |
1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16-,17+
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| InChIKey |
LERNTVKEWCAPOY-FPISHFTHSA-N
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| Click to Show/Hide the Molecular Data (Structure/Property) of This API | |||||
| Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=5487427"></iframe>
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| 3D MOL | 2D MOL | ||||
| Physicochemical Properties | Molecular Weight | 392.5 | Topological Polar Surface Area | 116 | |
| XlogP | 2.3 | Complexity | 564 | ||
| Heavy Atom Count | 26 | Rotatable Bond Count | 5 | ||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 6 | ||
| Full List of Drug Formulations (DFMs) Containing This API | ||||||
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| Tiotropium 0.018 mg powder | Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s) | |||||
| Drug Formulation 1 |
DFM Info
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| All DIGs | Click to Show/Hide the Full List of DIGs in This DFM
Lactose monohydrate
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| Dosage Form | Inhalant Powder | |||||
| Company | Physicians Total Care | |||||
| References | |||||
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| 1 | FDA label for approved tiotropium from the official website of the U.S. Food and Drug Administration. | ||||
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