Analyte Name

Naltrindole Hydrochloride -D4

Molecular Formula

C26H22D4N2O3 • HCl

Molecular Weight

454.98

Accurate Mass

454.2

SMILES

O[C@]1([C@H](N(CC2CC2)CC3)C4)[C@@]53C6=C4C=CC(O)=C6O[C@H]5C(NC7=C8C([2H])=C([2H])C([2H])=C7[2H])=C8C1.Cl

InChI

InChI=1S/C26H26N2O3.ClH/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14;/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2;1H/t20-,24+,25+,26-;/m1./s1/i1D,2D,3D,4D;

IUPAC

(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-10,11,12,13-d4-1,8a(9H)-diol hydrochloride

Unlabelled CAS Number

111469-81-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat