| Description |
Reserpine-[d9] is the labelled analogue of Reserpine, which is an inhibitor of multidrug efflux pumps, used as an antipsychotic and antihypertensive drug. |
| Synonyms |
Reserpine-D9; (3β,16β,17α,18β,20α)-11,17-Dimethoxy-18-[[3,4,5-tri(methoxy-d3)benzoyl]oxy]yohimban-16-carboxylic Acid Methyl Ester; 3,4,5-Tri(methoxy-d3)benzoyl Methyl Reserpate; Anquil-d9; Apoplon-d9; Rivasin-d9; Serpasil-d9; Temposerpine-d9; Triserpin-d9; Reserpine-(3',4',5'-trimethoxy-d9) |
| IUPAC Name |
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3,4,5-tris(trideuteriomethoxy)benzoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Related CAS |
50-55-5 (unlabelled) 16994-56-2 (unlabelled hydrochloride)
|
| Isomeric SMILES |
CO[C@@H]1[C@@H](C[C@H]2CN3CCC4C5CCC(CC5NC4[C@H]3C[C@H]2[C@@H]1C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| Canonical SMILES |
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| InChI |
InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1/i2D3,3D3,4D3 |
| InChI Key |
QEVHRUUCFGRFIF-QXCASUSISA-N |
| Melting Point |
>218°C (dec.) |
| Purity |
95% by HPLC; 98% atom D |
| Solubility |
Soluble in Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated) |
| Appearance |
Off-white to Pale Brown Solid |
| Storage |
Store at 2-8°C |
![Reserpine-[d9]](https://resource.bocsci.com/structure/84759-11-5.gif)
