![Tiotropium bromide[噻托溴铵]](https://newcny.com/wp-content/uploads/2024/06/136310-93-5.svg)
CAS Registry Number®
136310-93-5
CAS Name
Tiotropium bromide
Molecular Formula
C19H22NO4S2.Br
Compound Properties
-
Melting Point (1)
218-220 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
InChI=1/C19H22NO4S2.BrH/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;1H/q+1;/p-1/t11-,12-,13+,16-,17+;
InChIKey
InChIKey=DQHNAVOVODVIMG-FOGIBKMMNA-M
SMILES
C(C(O[C@H]1C[C@]2([C@]3([C@@]([C@@](C1)([N+]2(C)C)[H])(O3)[H])[H])[H])=O)(O)(C4=CC=CS4)C5=CC=CS5.[Br-]
Canonical SMILES
[Br-].O=C(OC1CC2C3OC3C(C1)[N+]2(C)C)C(O)(C=4SC=CC4)C=5SC=CC5
Other Names for this Substance
- 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide (1:1), (1α,2β,4β,5α,7β)-
- 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, (1α,2β,4β,5α,7β)-
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, 3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane deriv.
- Tiotropium bromide
- BA 679BR
- Spiriva
- tiopropium
- (1α,2β,4β,5α,7β)-7-[(Hydroxydi-2-thienylacetyl)oxy]-9,9-di-methyl-3-oxa-9-azoniatricyclo[3.3.1.0]nonane bromide
Deleted or Replaced CAS Registry Numbers
1248603-85-1
