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(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 hydrate (1:1:1) | CAS No. 139404-48-1

(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 hydrate (1:1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

139404-48-1

Molecular Formula

C19H24BrNO5S2

Molecular Weight

490.4 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C19H22NO4S2.BrH.H2O/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;1H2/q+1;;/p-1/t11-,12-,13+,16-,17+;;

InChIKey

MQLXPRBEAHBZTK-SEINRUQRSA-M

LogP

-0.75580

Complexity

564

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H312 Harmful in contact with skin
Acute toxicity, dermal
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • Tiotropium bromide monohydrate, European Pharmacopoeia (EP) Reference Standard
  • DTXSID30904820
  • HY-B0460
  • s2547
  • Tiotropium bromide monohydrate, >=98% (HPLC)
  • Tiotropium Bromide Monohydrate, Pharmaceutical Secondary Standard; Certified Reference Material
  • AC-37192
  • 6beta,7beta-Epoxy-3beta-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide, di-2-thienylglycolate
  • A886014
  • 6.BETA.,7.BETA.-EPOXY-3.BETA.-HYDROXY-8-METHYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM BROMIDE, DI-2-THIENYLGLYCOLATE MONOHYDRATE
  • L64SXO195N
  • 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, hydrate, (1alpha,2beta,4beta,5alpha,7beta)- (9CI)
  • BA-679BR
  • TIOTROPIUM BROMIDE [MART.]
  • TIOTROPIUM BROMIDE MONOHYDRATE [ORANGE BOOK]
  • Tiotropium bromide monohydrate
  • (1R,2R,4S,5S,7s)-7-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide hydrate
  • Tiotropium (bromide hydrate)
  • AKOS015900631
  • BA-679 BR hydrate
  • Spiriva
  • SW219041-1
  • Tiotropium for system suitability 1, European Pharmacopoeia (EP) Reference Standard
  • BA-679 BR
  • CHEMBL3545181
  • 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 MONOHYDRATE
  • BA-679-BR
  • CHEBI:32230
  • SCHEMBL1405692
  • Tiotropium bromide hydrate
  • Tiotropium Bromide hydrate (BA679BR)

MDL Number

MFCD08141831

Customs Code

2934999090

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 hydrate (CAS: 139404-48-1)?
This compound is a specific isomer of a bromide hydrate with a complex structure. It contains a cyclic nonane backbone with various substituents and a bromide ion, along with water molecules in its structure. It is known for its unique chemical properties and is used in specialized chemical and pharmaceutical applications.

What are the main uses of (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azonetricyclo[3.3.1.0~2,4~]nonane bromide hydrate (CAS: 139404-48-1)?
This compound is used in the synthesis of pharmaceuticals and as a reagent in organic chemistry. It can also be used in the development of novel materials and as a stabilizer in certain applications. Its specific uses are limited due to its complex structure and specialized nature.

Is (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azonetricyclo[3.3.1.0~2,4~]nonane bromide hydrate (CAS: 139404-48-1) safe?
This compound is safe under controlled conditions and proper handling. However, it should be handled with care due to its potential irritant and corrosive nature. Protective measures such as gloves and goggles are recommended to prevent skin and eye contact. Storage in a sealed container is essential to maintain its stability.

How should (1R,2R,4S,5S,7s)-7-[2-Hydroxy(di-2-thienyl)acetoxy]-9,9-dimethyl-3-oxa-9-azonetricyclo[3.3.1.0~2,4~]nonane bromide hydrate (CAS: 139404-48-1) be stored?
Store this compound in a cool, dry place, away from direct sunlight and moisture. It should be kept in a sealed container to prevent degradation. Maintain a temperature between 15-25°C and avoid exposure to high humidity to ensure its stability and safety during storage.

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(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 hydrate (1:1:1) — Shanghai Yuyeh Biotechnology Co., Ltd.

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Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.

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(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 hydrate (1:1:1) — Zhejiang Xianju Pharmaceutical Co., Ltd.

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(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 hydrate (1:1:1) — Hubei Nona Technology Co., Ltd.

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