Account rel-(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
- Catalog No. :
- ACWXAU678
- CAS No. :
- 136310-93-5
- Molecular Formula :
- C19H22BrNO4S2
- Molecular Weight :
- 472.43
IUPAC Name:(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
![rel-(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 structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/mt69/136310-93-5.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260805%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260805T135219Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22136310-93-5.png%22&x-id=GetObject&X-Amz-Signature=cd7af3611fb2dbeeba6221b19c7142d6f20d3fe795c192d1ceabbfebd6828bd4)
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Product Information
| Product Name | rel-(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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD00867027 |
| Molecular Formula | C19H22BrNO4S2 |
| Molecular Weight | 472.43 |
| SMILES | C[N+]1(C)[C@@]2([H])[C@@]3([H])O[C@@]3([H])[C@]1([H])C[C@H](OC(C(C4=CC=CS4)(O)C5=CC=CS5)=O)C2.[Br-] |
| InChI Key | DQHNAVOVODVIMG-FOGIBKMMSA-M |
| Synonym | Ba 679 BR | 7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide | BA679 BR | Meso-form | (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 |
| CAS No. | 136310-93-5 |
| PubChem CID | 5487426 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H319
- Precautionary Statement(s)
- P260-P264-P270-P271-P280-P304+P340+P312-P305+P351+P338-P308+P311-P337+P313-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACWXAU678 Molecular Building Block Synthetic Route
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rel-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-hydroxy-2,2-di(thiophen-2-yl)acetate
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