CAS: 186691-13-4 - Tiotropium

Formula: C₁₉H₂₂NO₄S₂

InChI: InChI=1/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+

InChI key: InChIKey=LERNTVKEWCAPOY-DZZGSBJMNA-N

SMILES: O=C(OC1CC2C3OC3C(C1)[N+]2(C)C)C(O)(C=4SC=CC4)C=5SC=CC5

Synonyms:

• (1α,2β,4β,5α,7β)-7-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane
• 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-
• Tiotropium
• Respimat
• 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, (1α,2β,4β,5α,7β)-

Tiotropium Bromide

CAS: 136310-93-5 186691-13-4

• Formula: C₁₉H₂₂BrNO₄S₂
• Purity: >98.0%(T)(HPLC)
• Color and Shape: White to Almost white powder to crystal
• Molecular weight: 472.41