Chemical Name | Vorapaxar D5 Sulfate |
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CAT No. | CS-O-11956 |
CAS No. | 705260-08-8 (Unlabeled) |
Status |
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Category | Stable Isotopes |
Hazardous | This is not a Hazardous Compound |
COA | View Sample COA |
Controlled | No |
Packing | Product will be supplied in Vials, in certain conditions we also use 'Septa Vials' |
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Controlled | No |
Parent API | Vorapaxar |
Smileys | O=[S](O)(O)=O.C[C@@H](O1)[C@@]2([H])[C@H]([C@@](CC[C@@H](NC(OC([2H])([2H])C([2H])([2H])[2H])=O)C3)([H])[C@]3([H])C[C@@]2([H])C1=O)/C=C/C4=CC=C(C5=CC(F)=CC=C5)C=N4 |
Canonical Smiles | CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O |
InchIKey | NQRYCIGCIAWEIC-CKLVGUEFSA-N |
Inchl | InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1 |
IUPAC | ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acid |
Hazardous | No |
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