Account 1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride
- Catalog No. :
- ACNYQV801
- CAS No. :
- 228113-66-4
- Molecular Formula :
- C40H56ClN3O4S
- Molecular Weight :
- 710.42
IUPAC Name:1-(4-((4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride
![1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride |
|---|---|
| IUPAC Name | 1-(4-((4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride |
| Molecular Formula | C40H56ClN3O4S |
| Molecular Weight | 710.42 |
| SMILES | C(CCC)C1(CCCC)[C@H](O)[C@@](C=2C(S(=O)(=O)C1)=CC=C(N(C)C)C2)(C3=CC=C(OCC4=CC=C(C[N+]56CCN(CC5)CC6)C=C4)C=C3)[H].[Cl-] |
| InChI Key | POMVPJBWDDJCMP-RUKDTIIFSA-M |
| Synonym | Maralixibat chloride | MARALIXIBAT CHLORIDE [INN] | LUM 001 | Livmarli | CS-0012347 | cloruro de maralixibat | UNII-V78M04F0XC | HY-16747 | (4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(dimethylamino) |
| CAS No. | 228113-66-4 |
| PubChem CID | 9831642 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACNYQV801 Molecular Building Block Synthetic Route
1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium
SC-435