Account (4aR,6aR,7R,9aR,11S)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione
- Catalog No. :
- ACJEIT449
- CAS No. :
- 82266-85-1
- Molecular Formula :
- C35H49N3O4
- Molecular Weight :
- 575.79
IUPAC Name:(4aR,6aR,7R,9aR,11S)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione
![(4aR,6aR,7R,9aR,11S)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4aR,6aR,7R,9aR,11S)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione |
|---|---|
| IUPAC Name | (4aR,6aR,7R,9aR,11S)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione |
| Molecular Formula | C35H49N3O4 |
| Molecular Weight | 575.79 |
| SMILES | CC1=C([C@@H]2C=C3[C@@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]34)N3C(=O)N(C4=CC=CC=C4)C(=O)N23)C[C@@H](O)C[C@@H]1O |
| InChI Key | PTIHYNIKYFVMFI-QLUNSSTRSA-N |
| Synonym | (6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione;Alfacalcidol EP impurity C;IMpurity C of Alfacalcidol;6.-[(3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-en-1-yl]-2-phenyl-2,5,10-triaza-4,19-dinor-9.-cholest-7-ene-1,3-dione;1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-(3,5-dihydroxy-2-methyl-1-cyclohexen-1-yl)-7-(1,5-dimethylhexyl)-4a,6,6a,7,8,9,9a,11-octahydro-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5S*)]]- (9CI);Alfacalcidol beta c;Alpha calciferol impurity C(EP);c .?6ξ-[(3S,5R)-3,5-d i h yd roxy-2-me th ylc yc loh e x-1-e n-1-yl]-2-ph e nyl-2,5,10-tri a za -17β-[(2R)-6-me th ylh e pta n-2-yl]-4-nor-9ξ-e str-7-e ne -1,3-d i one , |
| CAS No. | 82266-85-1 |
Synthetic Route by SureRoute
2. ACJEIT449 Molecular Building Block Synthetic Route
Impurity C of Calcitriol
N-Phenyl-9,10-Diazapentacyclo[4.4.0.02,5.03,8.04,7]decane-9,10-dicarboximide
Inflachromene