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Reserpine-[d9]

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General Information
Catalog: BLP-011673
CAS: 84759-11-5
Molecular Formula: C33H31D9N2O9
Molecular Weight: 617.73

Chemical Structure

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