Analyte Name

Bambuterol D9 (tert-butyl D9) Hydrochloride

CAS Number

1794810-59-5

Molecular Formula

C18 D9 H20 N3 O5 . Cl H

Molecular Weight

412.956

Accurate Mass

412.244

SMILES

Cl.[2H]C([2H])([2H])C(NCC(O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/i1D3,2D3,3D3;

IUPAC

[3-(dimethylcarbamoyloxy)-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]phenyl] N,N-dimethylcarbamate;hydrochloride

Unlabelled CAS Number

81732-46-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Contaminant

Product Format

Neat