Account Impurity C of Calcitriol
- Catalog No. :
- ACDBUL268
- CAS No. :
- 86307-44-0
- Molecular Formula :
- C35H49N3O5
- Molecular Weight :
- 591.79
IUPAC Name:(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-7-((R)-6-hydroxy-6-methylheptan-2-yl)-6a-methyl-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
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Product Information
| Product Name | Impurity C of Calcitriol |
|---|---|
| IUPAC Name | (6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-7-((R)-6-hydroxy-6-methylheptan-2-yl)-6a-methyl-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 | C35H49N3O5 |
| Molecular Weight | 591.79 |
| SMILES | CC1=C(C2C=C3C(CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]34)N3C(=O)N(C4=CC=CC=C4)C(=O)N23)C[C@@H](O)C[C@@H]1O |
| InChI Key | AYDPRRXRNSGAGP-SOWNFDNZSA-N |
| Synonym | Calcitriol EP Impurity C;pre-Calcitriol PTAD Adduct/Calcitriol EP Impurity C/Triazoline adduct of Pre-calcitriol(6aR,7R,9aR)-11-[(3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-enyl]-7-[(1R)-5-hydroxy-1,5-dimethylhexyl]-6a-methyl-2-phenyl-5,6,6a,7,8,9,9a,11-octahydro-1H,4aH-cyclopenta[f;Calcitriol EP Impurity C(Mixture of Diastereomers);pre-Calcitriol PTAD Adduct;[4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-11-(3,5-Dihydroxy-2-Methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-diMethylhexyl)-6a-Methyl-2-phenyl-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-di;(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-7-((R)-6-hydroxy-6-Methylheptan-2-yl)-6a-Methyl-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;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)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-diMethylhexyl)-6a-Methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R;IMpurity C of Calcitriol |
| CAS No. | 86307-44-0 |
| PubChem CID | 71314478 |
Synthetic Route by SureRoute
2. ACDBUL268 Molecular Building Block Synthetic Route
(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
N-Phenyl-9,10-Diazapentacyclo[4.4.0.02,5.03,8.04,7]decane-9,10-dicarboximide
Inflachromene