Nombre del analito

Doxepin-N-beta-D-Glucuronide-d3

Fórmula molecular

C25 D3 H26 N O7

Peso molecular

458.519

Masa exacta

458.213

SMILES

[2H]C([2H])([2H])[N+](C)(CC\C=C\1/c2ccccc2COc3ccccc13)[C@@H]4OC([C@H](O)[C@H](O)[C@@H]4O)C(=O)[O-]

InChI

InChI=1S/C25H29NO7/c1-26(2,24-22(29)20(27)21(28)23(33-24)25(30)31)13-7-11-17-16-9-4-3-8-15(16)14-32-19-12-6-5-10-18(17)19/h3-6,8-12,20-24,27-29H,7,13-14H2,1-2H3/b17-11+/t20-,21+,22-,23?,24+/m0/s1/i1D3/t20-,21+,22-,23?,24+,26?

IUPAC

(3R,4S,5S,6R)-6-[[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-(trideuteriomethyl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate

Número CAS sin etiquetar

1075185-73-7

Tipo SIL

Deuterium

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Stable Isotope Labelled

Formato del producto

Neat