Account 3-{1-azabicyclo[2.2.2]octan-3-yl}-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),9,11-trien-2-one hydrochloride
- Catalog No. :
- ACETCS530
- CAS No. :
- 135729-74-7
- Molecular Formula :
- C19H25ClN2O
- Molecular Weight :
- 332.88
IUPAC Name:3-(1-oxo-3a,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-2(3H)-yl)quinuclidin-1-ium chloride
![3-{1-azabicyclo[2.2.2]octan-3-yl}-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),9,11-trien-2-one hydrochloride structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-{1-azabicyclo[2.2.2]octan-3-yl}-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),9,11-trien-2-one hydrochloride |
|---|---|
| IUPAC Name | 3-(1-oxo-3a,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-2(3H)-yl)quinuclidin-1-ium chloride |
| MDL No. | MFCD29738342 |
| Molecular Formula | C19H25ClN2O |
| Molecular Weight | 332.88 |
| SMILES | O=C(N(C1CN2CCC1CC2)CC3CCC4)C5=C3C4=CC=C5.[H]Cl |
| InChI Key | OLDRWYVIKMSFFB-UHFFFAOYSA-N |
| Synonym | 2-(1-azabicyclo[2.2.2]octan-3-yl)-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one hydron chloride;2-(Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1h-benzo[de]isoquinolin-1-one hydrochloride |
| CAS No. | 135729-74-7 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACETCS530 Molecular Building Block Synthetic Route
![(S)-2-((S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/w1rs/135729-62-3.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260810%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260810T030336Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22135729-62-3.png%22&x-id=GetObject&X-Amz-Signature=a61c8fb3226a2c66c00febc0d0098bdab61a32360adee0079db246fa803e9e73)
(S)-2-((S)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
(S)-2-((R)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride
(S)-2-((R)-Quinuclidin-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one