(1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide | CAS No. 136310-93-5

(1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide

Basic Information

CAS Number

136310-93-5

Molecular Formula

C19H22BrNO4S2

Molecular Weight

472.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

230°C

Boiling Point

°Cat760mmHg

C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]

InChI

InChI=1S/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

DQHNAVOVODVIMG-FOGIBKMMSA-M

LogP

-0.69150

Complexity

564

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Tiopropium
  • AC-1300
  • BA679 BR
  • HY-17360
  • BCP02925
  • TIOTROPIUM BROMIDE [USAN]
  • EN300-7375203
  • AS-75172
  • BT164474
  • BDBM50538220
  • SCHEMBL7607795
  • (1R,2R,4S,5S,7R)-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 bromide
  • BA-679BR
  • DTXCID20820565
  • 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), (1alpha,2beta,4beta,5alpha,7beta)-
  • UNII-XX112XZP0J
  • Olodaterol/tiotropium bromide
  • (1?,2?,4?,5?,7?)-7-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide
  • (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide
  • NCGC00167971-01
  • TIOTROPIUM BROMIDE [ORANGE BOOK]
  • CAS-136310-93-5
  • 136310-93-5
  • CHEMBL4638964
  • Spiriva
  • 1.ALPHA., 2.BETA., 4.BETA, 5.ALPHA, 7.BETA-7-((HYDROXYDI-2-THIENYLACETYL)OXY)-9,9-DIMETHYL-3-OXA-9-AZONIATRICYCLO(3.3.1.0 SUP(2,4))NONANE BROMIDE
  • BA-679 BR
  • (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),?]nonan-9-ium bromide
  • BA-679-BR
  • Tiotropium bromide- Bio-X
  • (1R,2R,4S,5S,7S)-7-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0

MDL Number

MFCD00867027

Customs Code

29309070

FAQ

What is (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide (CAS: 136310-93-5)?

This compound is a derivative of a modified cycloalkane structure with specific stereochemistry. It contains bromide ions and functional groups such as hydroxy and acetoxy. It is used in the pharmaceutical industry for developing new drugs and as a research tool.

What are the main uses of (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide (CAS: 136310-93-5)?

This compound is primarily used in pharmaceutical research for developing new drugs and as a chemical intermediate. It is also utilized in organic synthesis and as a reagent in various chemical reactions.

Is (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide (CAS: 136310-93-5) safe?

This compound should be handled with care due to its chemical nature. It is important to follow safety guidelines, including the use of appropriate personal protective equipment (PPE) and proper ventilation. Storage should be in a secure area with controlled access.

How should (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane bromide (CAS: 136310-93-5) be stored?

This compound should be stored in a dry, cool place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Refrigeration is not typically necessary unless specified by the manufacturer or safety data sheet (SDS).

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